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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/TBEV-f6182dbc/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBEV-f6182dbc/inputs/seq.fa: 1 curr_seq: _UGACACAAAGGCACAGGAGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACAAAGGCACAGGAGCC 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 21 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: 110 n_atoms_counter: 110 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.023143 (E_RNA) where: Base-Base interactions energy: -0.841 where: short stacking energy: -0.841 Base-Backbone interact. energy: -0.000 local terms energy: -78.182437 where: bonds (distance) C4'-P energy: -20.403 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -17.637 tors. eta vs tors. theta energy: -5.041 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: 2 Temperature: 0.900000 Total energy: -132.930983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.930983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.930983 (E_RNA) where: Base-Base interactions energy: -64.709 where: short stacking energy: -64.709 Base-Backbone interact. energy: -0.024 local terms energy: -68.197667 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -16.854 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -127.417416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.417416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.417416 (E_RNA) where: Base-Base interactions energy: -58.798 where: short stacking energy: -55.038 Base-Backbone interact. energy: -0.073 local terms energy: -68.546154 where: bonds (distance) C4'-P energy: -17.212 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -16.692 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -12.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -124.985234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.985234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.985234 (E_RNA) where: Base-Base interactions energy: -67.787 where: short stacking energy: -50.584 Base-Backbone interact. energy: -0.028 local terms energy: -57.169710 where: bonds (distance) C4'-P energy: -15.755 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -5.551 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -134.950907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.950907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.950907 (E_RNA) where: Base-Base interactions energy: -72.493 where: short stacking energy: -52.250 Base-Backbone interact. energy: -0.066 local terms energy: -62.390965 where: bonds (distance) C4'-P energy: -14.968 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -11.317 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -10.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -104.523861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.523861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.523861 (E_RNA) where: Base-Base interactions energy: -47.985 where: short stacking energy: -47.985 Base-Backbone interact. energy: -0.305 local terms energy: -56.233261 where: bonds (distance) C4'-P energy: -15.824 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -98.098839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.098839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.098839 (E_RNA) where: Base-Base interactions energy: -43.690 where: short stacking energy: -43.690 Base-Backbone interact. energy: -0.180 local terms energy: -54.229560 where: bonds (distance) C4'-P energy: -11.551 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -8.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -97.224135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.224135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.224135 (E_RNA) where: Base-Base interactions energy: -42.800 where: short stacking energy: -42.800 Base-Backbone interact. energy: -0.260 local terms energy: -54.164019 where: bonds (distance) C4'-P energy: -9.566 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -16.504 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -8.798 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: 2 Temperature: 1.250000 Total energy: -82.367164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.367164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.367164 (E_RNA) where: Base-Base interactions energy: -26.520 where: short stacking energy: -25.920 Base-Backbone interact. energy: -0.552 local terms energy: -55.295022 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -94.045550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.045550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.045550 (E_RNA) where: Base-Base interactions energy: -37.508 where: short stacking energy: -35.912 Base-Backbone interact. energy: -0.480 local terms energy: -56.058160 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -15.506 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -84.812720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.812720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.812720 (E_RNA) where: Base-Base interactions energy: -31.389 where: short stacking energy: -31.389 Base-Backbone interact. energy: -0.101 local terms energy: -53.322230 where: bonds (distance) C4'-P energy: -15.192 bonds (distance) P-C4' energy: -15.713 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -11.383 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -156.281467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.281467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.281467 (E_RNA) where: Base-Base interactions energy: -91.054 where: short stacking energy: -47.868 Base-Backbone interact. energy: -0.052 local terms energy: -65.175426 where: bonds (distance) C4'-P energy: -14.530 bonds (distance) P-C4' energy: -18.446 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -9.304 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: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -130.843023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.843023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.843023 (E_RNA) where: Base-Base interactions energy: -62.120 where: short stacking energy: -57.096 Base-Backbone interact. energy: -0.036 local terms energy: -68.686853 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -11.662 tors. eta vs tors. theta energy: -12.965 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -110.500353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.500353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.500353 (E_RNA) where: Base-Base interactions energy: -57.609 where: short stacking energy: -39.666 Base-Backbone interact. energy: -0.301 local terms energy: -52.590852 where: bonds (distance) C4'-P energy: -16.466 bonds (distance) P-C4' energy: -10.061 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -119.128887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.128887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.128887 (E_RNA) where: Base-Base interactions energy: -61.718 where: short stacking energy: -42.758 Base-Backbone interact. energy: -0.013 local terms energy: -57.397474 where: bonds (distance) C4'-P energy: -15.539 bonds (distance) P-C4' energy: -14.499 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -6.702 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -108.254396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.254396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.254396 (E_RNA) where: Base-Base interactions energy: -51.964 where: short stacking energy: -43.700 Base-Backbone interact. energy: -0.087 local terms energy: -56.203747 where: bonds (distance) C4'-P energy: -15.000 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -110.924977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.924977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.924977 (E_RNA) where: Base-Base interactions energy: -54.303 where: short stacking energy: -50.542 Base-Backbone interact. energy: -0.135 local terms energy: -56.486834 where: bonds (distance) C4'-P energy: -11.109 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -8.188 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -90.051191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.051191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.051191 (E_RNA) where: Base-Base interactions energy: -39.189 where: short stacking energy: -33.110 Base-Backbone interact. energy: -0.254 local terms energy: -50.608233 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -10.054 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -1.190 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -84.803569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.803569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.803569 (E_RNA) where: Base-Base interactions energy: -26.512 where: short stacking energy: -26.434 Base-Backbone interact. energy: -1.212 local terms energy: -57.079457 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -99.857639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.857639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.857639 (E_RNA) where: Base-Base interactions energy: -47.176 where: short stacking energy: -43.839 Base-Backbone interact. energy: -0.014 local terms energy: -52.668337 where: bonds (distance) C4'-P energy: -12.112 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -7.044 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -88.092869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.092869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.092869 (E_RNA) where: Base-Base interactions energy: -36.956 where: short stacking energy: -22.220 Base-Backbone interact. energy: -0.076 local terms energy: -51.060639 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: 1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -160.084976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.084976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.084976 (E_RNA) where: Base-Base interactions energy: -89.695 where: short stacking energy: -57.218 Base-Backbone interact. energy: -0.077 local terms energy: -70.312588 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -10.726 tors. eta vs tors. theta energy: -11.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -124.792683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.792683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.792683 (E_RNA) where: Base-Base interactions energy: -51.343 where: short stacking energy: -51.343 Base-Backbone interact. energy: -0.108 local terms energy: -73.341498 where: bonds (distance) C4'-P energy: -16.140 bonds (distance) P-C4' energy: -16.526 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -11.217 tors. eta vs tors. theta energy: -13.677 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: 4 Temperature: 1.000000 Total energy: -125.443207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.443207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.443207 (E_RNA) where: Base-Base interactions energy: -61.823 where: short stacking energy: -57.165 Base-Backbone interact. energy: -0.082 local terms energy: -63.538331 where: bonds (distance) C4'-P energy: -16.681 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -12.894 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -118.531408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.531408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.531408 (E_RNA) where: Base-Base interactions energy: -55.956 where: short stacking energy: -53.983 Base-Backbone interact. energy: -0.016 local terms energy: -62.559079 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -15.906 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -13.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -107.701097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.701097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.701097 (E_RNA) where: Base-Base interactions energy: -55.666 where: short stacking energy: -41.737 Base-Backbone interact. energy: -0.177 local terms energy: -51.858255 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -13.658 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -4.116 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: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -101.042093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.042093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.042093 (E_RNA) where: Base-Base interactions energy: -45.630 where: short stacking energy: -38.297 Base-Backbone interact. energy: -0.084 local terms energy: -55.328086 where: bonds (distance) C4'-P energy: -14.414 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -94.782812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.782812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.782812 (E_RNA) where: Base-Base interactions energy: -36.866 where: short stacking energy: -27.774 Base-Backbone interact. energy: 1.154 local terms energy: -59.070061 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -16.133 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -11.849 tors. eta vs tors. theta energy: -5.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -142.111067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.111067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.111067 (E_RNA) where: Base-Base interactions energy: -82.066 where: short stacking energy: -40.275 Base-Backbone interact. energy: -0.206 local terms energy: -59.838665 where: bonds (distance) C4'-P energy: -15.862 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -87.502525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.502525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.502525 (E_RNA) where: Base-Base interactions energy: -37.357 where: short stacking energy: -38.011 Base-Backbone interact. energy: -0.038 local terms energy: -50.108157 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -83.081099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.081099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.081099 (E_RNA) where: Base-Base interactions energy: -35.341 where: short stacking energy: -29.957 Base-Backbone interact. energy: -0.053 local terms energy: -47.687351 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -179.543080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.543080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.543080 (E_RNA) where: Base-Base interactions energy: -112.285 where: short stacking energy: -62.468 Base-Backbone interact. energy: -0.854 local terms energy: -66.403289 where: bonds (distance) C4'-P energy: -13.692 bonds (distance) P-C4' energy: -16.311 flat angles C4'-P-C4' energy: -15.290 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -13.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -139.376764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.376764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.376764 (E_RNA) where: Base-Base interactions energy: -69.687 where: short stacking energy: -63.193 Base-Backbone interact. energy: -0.032 local terms energy: -69.657468 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -17.466 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -12.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -116.166537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.166537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.166537 (E_RNA) where: Base-Base interactions energy: -53.411 where: short stacking energy: -53.411 Base-Backbone interact. energy: -0.081 local terms energy: -62.674466 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -13.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -114.965703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.965703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.965703 (E_RNA) where: Base-Base interactions energy: -49.463 where: short stacking energy: -45.730 Base-Backbone interact. energy: -0.189 local terms energy: -65.313771 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -13.353 tors. eta vs tors. theta energy: -10.751 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: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -102.477517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.477517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.477517 (E_RNA) where: Base-Base interactions energy: -44.431 where: short stacking energy: -34.403 Base-Backbone interact. energy: -0.115 local terms energy: -57.930733 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -6.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -97.767233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.767233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.767233 (E_RNA) where: Base-Base interactions energy: -38.375 where: short stacking energy: -31.576 Base-Backbone interact. energy: -0.040 local terms energy: -59.352342 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -15.202 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -92.387026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.387026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.387026 (E_RNA) where: Base-Base interactions energy: -37.368 where: short stacking energy: -33.461 Base-Backbone interact. energy: -0.247 local terms energy: -54.772008 where: bonds (distance) C4'-P energy: -15.452 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -138.003800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.003800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.003800 (E_RNA) where: Base-Base interactions energy: -87.077 where: short stacking energy: -45.961 Base-Backbone interact. energy: -0.074 local terms energy: -50.853371 where: bonds (distance) C4'-P energy: -12.760 bonds (distance) P-C4' energy: -10.718 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -96.245025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.245025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.245025 (E_RNA) where: Base-Base interactions energy: -45.547 where: short stacking energy: -32.554 Base-Backbone interact. energy: -0.231 local terms energy: -50.466469 where: bonds (distance) C4'-P energy: -16.048 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: 1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -88.591135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.591135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.591135 (E_RNA) where: Base-Base interactions energy: -39.271 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.167 local terms energy: -49.152820 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -11.012 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -171.014484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.014484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.014484 (E_RNA) where: Base-Base interactions energy: -101.024 where: short stacking energy: -62.063 Base-Backbone interact. energy: 0.099 local terms energy: -70.089627 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -16.902 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -14.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -124.765755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.765755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.765755 (E_RNA) where: Base-Base interactions energy: -55.285 where: short stacking energy: -50.757 Base-Backbone interact. energy: -0.108 local terms energy: -69.372670 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -17.936 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -14.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -158.582764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.582764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.582764 (E_RNA) where: Base-Base interactions energy: -89.686 where: short stacking energy: -43.246 Base-Backbone interact. energy: -0.085 local terms energy: -68.811704 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -16.340 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -10.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -111.625068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.625068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.625068 (E_RNA) where: Base-Base interactions energy: -49.783 where: short stacking energy: -48.227 Base-Backbone interact. energy: 1.133 local terms energy: -62.975618 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -13.947 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -10.573 tors. eta vs tors. theta energy: -12.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -109.487028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.487028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.487028 (E_RNA) where: Base-Base interactions energy: -51.723 where: short stacking energy: -48.599 Base-Backbone interact. energy: -0.348 local terms energy: -57.416627 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -10.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -100.994803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.994803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.994803 (E_RNA) where: Base-Base interactions energy: -56.484 where: short stacking energy: -29.509 Base-Backbone interact. energy: 0.532 local terms energy: -45.042699 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -9.822 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -151.970782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.970782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.970782 (E_RNA) where: Base-Base interactions energy: -92.199 where: short stacking energy: -55.162 Base-Backbone interact. energy: -0.112 local terms energy: -59.659727 where: bonds (distance) C4'-P energy: -10.613 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -15.675 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -10.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -89.538417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.538417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.538417 (E_RNA) where: Base-Base interactions energy: -48.267 where: short stacking energy: -35.226 Base-Backbone interact. energy: 0.234 local terms energy: -41.505537 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -0.230 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -88.824757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.824757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.824757 (E_RNA) where: Base-Base interactions energy: -35.135 where: short stacking energy: -35.135 Base-Backbone interact. energy: -0.002 local terms energy: -53.687053 where: bonds (distance) C4'-P energy: -15.987 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -9.624 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -72.236446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.236446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.236446 (E_RNA) where: Base-Base interactions energy: -26.930 where: short stacking energy: -23.450 Base-Backbone interact. energy: -0.291 local terms energy: -45.015970 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: 1.461 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: 7 Temperature: 0.900000 Total energy: -178.145627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.145627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.145627 (E_RNA) where: Base-Base interactions energy: -110.910 where: short stacking energy: -65.253 Base-Backbone interact. energy: -0.091 local terms energy: -67.144733 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -12.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -172.269703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.269703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.269703 (E_RNA) where: Base-Base interactions energy: -102.267 where: short stacking energy: -56.933 Base-Backbone interact. energy: -0.055 local terms energy: -69.946842 where: bonds (distance) C4'-P energy: -14.373 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -13.687 tors. eta vs tors. theta energy: -13.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -135.917137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.917137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.917137 (E_RNA) where: Base-Base interactions energy: -72.068 where: short stacking energy: -50.675 Base-Backbone interact. energy: -0.510 local terms energy: -63.339367 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -11.323 flat angles P-C4'-P energy: -13.043 tors. eta vs tors. theta energy: -11.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -109.647029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.647029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.647029 (E_RNA) where: Base-Base interactions energy: -55.846 where: short stacking energy: -52.448 Base-Backbone interact. energy: -0.011 local terms energy: -53.789514 where: bonds (distance) C4'-P energy: -5.358 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -12.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -98.039447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.039447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.039447 (E_RNA) where: Base-Base interactions energy: -33.265 where: short stacking energy: -33.265 Base-Backbone interact. energy: -0.367 local terms energy: -64.407205 where: bonds (distance) C4'-P energy: -17.381 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -9.774 tors. eta vs tors. theta energy: -8.788 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -149.746438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.746438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.746438 (E_RNA) where: Base-Base interactions energy: -99.755 where: short stacking energy: -54.457 Base-Backbone interact. energy: -0.236 local terms energy: -49.755647 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -10.228 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -11.812 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: 7, replica: 9 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -91.565388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.565388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.565388 (E_RNA) where: Base-Base interactions energy: -37.339 where: short stacking energy: -24.618 Base-Backbone interact. energy: -0.113 local terms energy: -54.113571 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -2.883 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: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -98.492286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.492286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.492286 (E_RNA) where: Base-Base interactions energy: -36.640 where: short stacking energy: -28.894 Base-Backbone interact. energy: -0.004 local terms energy: -61.848857 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -10.451 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: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -126.850525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.850525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.850525 (E_RNA) where: Base-Base interactions energy: -76.044 where: short stacking energy: -40.845 Base-Backbone interact. energy: -0.534 local terms energy: -50.272928 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -12.354 flat angles C4'-P-C4' energy: -10.890 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -7.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -71.253186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.253186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.253186 (E_RNA) where: Base-Base interactions energy: -25.251 where: short stacking energy: -24.713 Base-Backbone interact. energy: -0.094 local terms energy: -45.908898 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -176.748650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.748650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.748650 (E_RNA) where: Base-Base interactions energy: -106.559 where: short stacking energy: -66.701 Base-Backbone interact. energy: -0.019 local terms energy: -70.169713 where: bonds (distance) C4'-P energy: -16.413 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -10.627 tors. eta vs tors. theta energy: -14.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -159.866229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.866229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.866229 (E_RNA) where: Base-Base interactions energy: -98.185 where: short stacking energy: -55.026 Base-Backbone interact. energy: -0.196 local terms energy: -61.485014 where: bonds (distance) C4'-P energy: -10.621 bonds (distance) P-C4' energy: -13.633 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -11.665 tors. eta vs tors. theta energy: -10.539 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: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -120.705518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.705518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.705518 (E_RNA) where: Base-Base interactions energy: -55.952 where: short stacking energy: -55.952 Base-Backbone interact. energy: -0.020 local terms energy: -64.733877 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -11.326 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -144.218976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.218976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.218976 (E_RNA) where: Base-Base interactions energy: -82.096 where: short stacking energy: -55.550 Base-Backbone interact. energy: -0.005 local terms energy: -62.118538 where: bonds (distance) C4'-P energy: -11.623 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -14.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -169.454298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.454298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.454298 (E_RNA) where: Base-Base interactions energy: -107.258 where: short stacking energy: -54.140 Base-Backbone interact. energy: -0.703 local terms energy: -61.493138 where: bonds (distance) C4'-P energy: -14.689 bonds (distance) P-C4' energy: -8.477 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -12.242 tors. eta vs tors. theta energy: -11.441 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: 3 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -91.302294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.302294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.302294 (E_RNA) where: Base-Base interactions energy: -45.732 where: short stacking energy: -38.975 Base-Backbone interact. energy: -0.539 local terms energy: -45.031212 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -8.831 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -5.932 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -88.666991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.666991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.666991 (E_RNA) where: Base-Base interactions energy: -35.586 where: short stacking energy: -24.203 Base-Backbone interact. energy: -0.133 local terms energy: -52.948217 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -10.762 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -104.117781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.117781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.117781 (E_RNA) where: Base-Base interactions energy: -50.844 where: short stacking energy: -36.053 Base-Backbone interact. energy: -0.184 local terms energy: -53.088943 where: bonds (distance) C4'-P energy: -15.497 bonds (distance) P-C4' energy: -9.205 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -88.002644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.002644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.002644 (E_RNA) where: Base-Base interactions energy: -41.349 where: short stacking energy: -23.040 Base-Backbone interact. energy: 0.108 local terms energy: -46.761643 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -12.099 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: 3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -138.037419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.037419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.037419 (E_RNA) where: Base-Base interactions energy: -82.657 where: short stacking energy: -39.777 Base-Backbone interact. energy: -0.168 local terms energy: -55.212486 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -190.012430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.012430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.012430 (E_RNA) where: Base-Base interactions energy: -113.219 where: short stacking energy: -71.628 Base-Backbone interact. energy: -0.102 local terms energy: -76.691659 where: bonds (distance) C4'-P energy: -16.376 bonds (distance) P-C4' energy: -15.172 flat angles C4'-P-C4' energy: -16.743 flat angles P-C4'-P energy: -12.429 tors. eta vs tors. theta energy: -15.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -169.346961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.346961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.346961 (E_RNA) where: Base-Base interactions energy: -91.203 where: short stacking energy: -58.047 Base-Backbone interact. energy: 1.125 local terms energy: -79.268744 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -16.715 flat angles C4'-P-C4' energy: -17.812 flat angles P-C4'-P energy: -12.975 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -115.838531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.838531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.838531 (E_RNA) where: Base-Base interactions energy: -54.386 where: short stacking energy: -49.024 Base-Backbone interact. energy: -0.192 local terms energy: -61.260565 where: bonds (distance) C4'-P energy: -13.986 bonds (distance) P-C4' energy: -18.010 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -7.178 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: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -188.295247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.295247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.295247 (E_RNA) where: Base-Base interactions energy: -118.460 where: short stacking energy: -54.684 Base-Backbone interact. energy: -0.006 local terms energy: -69.829356 where: bonds (distance) C4'-P energy: -12.065 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -17.772 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -17.368 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: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -139.345400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.345400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.345400 (E_RNA) where: Base-Base interactions energy: -78.019 where: short stacking energy: -50.268 Base-Backbone interact. energy: -0.204 local terms energy: -61.122948 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -8.577 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -101.962822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.962822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.962822 (E_RNA) where: Base-Base interactions energy: -43.219 where: short stacking energy: -40.476 Base-Backbone interact. energy: -0.122 local terms energy: -58.621509 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -9.713 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -11.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -95.856444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.856444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.856444 (E_RNA) where: Base-Base interactions energy: -48.007 where: short stacking energy: -43.633 Base-Backbone interact. energy: -0.523 local terms energy: -47.326372 where: bonds (distance) C4'-P energy: -8.219 bonds (distance) P-C4' energy: -16.587 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -0.668 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -125.148680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.148680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.148680 (E_RNA) where: Base-Base interactions energy: -66.825 where: short stacking energy: -38.232 Base-Backbone interact. energy: -0.404 local terms energy: -57.919314 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -10.975 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -8.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -85.792442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.792442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.792442 (E_RNA) where: Base-Base interactions energy: -38.037 where: short stacking energy: -24.396 Base-Backbone interact. energy: -0.201 local terms energy: -47.553905 where: bonds (distance) C4'-P energy: -8.208 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -8.654 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: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -129.825700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.825700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.825700 (E_RNA) where: Base-Base interactions energy: -82.129 where: short stacking energy: -31.700 Base-Backbone interact. energy: 3.014 local terms energy: -50.711388 where: bonds (distance) C4'-P energy: -12.223 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -170.573298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.573298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.573298 (E_RNA) where: Base-Base interactions energy: -97.192 where: short stacking energy: -50.024 Base-Backbone interact. energy: -0.282 local terms energy: -73.099436 where: bonds (distance) C4'-P energy: -15.284 bonds (distance) P-C4' energy: -18.150 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -14.813 tors. eta vs tors. theta energy: -10.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -170.720475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.720475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.720475 (E_RNA) where: Base-Base interactions energy: -100.147 where: short stacking energy: -53.856 Base-Backbone interact. energy: 0.271 local terms energy: -70.845045 where: bonds (distance) C4'-P energy: -16.723 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -174.755146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.755146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.755146 (E_RNA) where: Base-Base interactions energy: -110.788 where: short stacking energy: -57.316 Base-Backbone interact. energy: -0.051 local terms energy: -63.915676 where: bonds (distance) C4'-P energy: -16.289 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -18.625 flat angles P-C4'-P energy: -10.019 tors. eta vs tors. theta energy: -7.059 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: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -127.802664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.802664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.802664 (E_RNA) where: Base-Base interactions energy: -63.880 where: short stacking energy: -57.252 Base-Backbone interact. energy: -0.080 local terms energy: -63.842880 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -11.035 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -130.002615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.002615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.002615 (E_RNA) where: Base-Base interactions energy: -65.732 where: short stacking energy: -57.921 Base-Backbone interact. energy: -0.171 local terms energy: -64.099588 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -12.336 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -14.361 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: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -99.801669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.801669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.801669 (E_RNA) where: Base-Base interactions energy: -41.398 where: short stacking energy: -32.533 Base-Backbone interact. energy: -0.061 local terms energy: -58.342387 where: bonds (distance) C4'-P energy: -15.188 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: -11.809 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -86.408891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.408891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.408891 (E_RNA) where: Base-Base interactions energy: -33.799 where: short stacking energy: -33.553 Base-Backbone interact. energy: -0.168 local terms energy: -52.441777 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -86.214452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.214452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.214452 (E_RNA) where: Base-Base interactions energy: -36.798 where: short stacking energy: -33.414 Base-Backbone interact. energy: -0.665 local terms energy: -48.751676 where: bonds (distance) C4'-P energy: -11.968 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -86.983234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.983234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.983234 (E_RNA) where: Base-Base interactions energy: -30.414 where: short stacking energy: -32.114 Base-Backbone interact. energy: -0.050 local terms energy: -56.518963 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -10.093 tors. eta vs tors. theta energy: -7.510 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: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -78.569018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.569018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.569018 (E_RNA) where: Base-Base interactions energy: -29.087 where: short stacking energy: -27.129 Base-Backbone interact. energy: -0.115 local terms energy: -49.366727 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -167.172112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.172112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.172112 (E_RNA) where: Base-Base interactions energy: -99.639 where: short stacking energy: -44.195 Base-Backbone interact. energy: -0.803 local terms energy: -66.729752 where: bonds (distance) C4'-P energy: -15.932 bonds (distance) P-C4' energy: -16.216 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -180.682245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.682245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.682245 (E_RNA) where: Base-Base interactions energy: -107.559 where: short stacking energy: -53.325 Base-Backbone interact. energy: 0.303 local terms energy: -73.426289 where: bonds (distance) C4'-P energy: -16.731 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -11.862 tors. eta vs tors. theta energy: -16.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -152.882191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.882191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.882191 (E_RNA) where: Base-Base interactions energy: -93.748 where: short stacking energy: -44.425 Base-Backbone interact. energy: -0.236 local terms energy: -58.898656 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -12.104 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -8.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -117.377410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.377410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.377410 (E_RNA) where: Base-Base interactions energy: -61.163 where: short stacking energy: -46.050 Base-Backbone interact. energy: 0.272 local terms energy: -56.485979 where: bonds (distance) C4'-P energy: -15.635 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -5.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -123.036203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.036203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.036203 (E_RNA) where: Base-Base interactions energy: -68.225 where: short stacking energy: -49.249 Base-Backbone interact. energy: -0.054 local terms energy: -54.756786 where: bonds (distance) C4'-P energy: -11.168 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -13.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -98.896265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.896265 (E_RNA) where: Base-Base interactions energy: -33.773 where: short stacking energy: -32.781 Base-Backbone interact. energy: -1.557 local terms energy: -63.565966 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -17.600 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -9.085 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: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -95.738764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.738764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.738764 (E_RNA) where: Base-Base interactions energy: -47.487 where: short stacking energy: -33.765 Base-Backbone interact. energy: -0.189 local terms energy: -48.062450 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -11.067 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -94.326754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.326754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.326754 (E_RNA) where: Base-Base interactions energy: -32.270 where: short stacking energy: -32.270 Base-Backbone interact. energy: -0.106 local terms energy: -61.950719 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -18.461 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -7.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -91.725724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.725724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.725724 (E_RNA) where: Base-Base interactions energy: -42.725 where: short stacking energy: -36.802 Base-Backbone interact. energy: -0.139 local terms energy: -48.862038 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -12.269 tors. eta vs tors. theta energy: -0.334 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: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -86.497573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.497573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.497573 (E_RNA) where: Base-Base interactions energy: -33.683 where: short stacking energy: -32.875 Base-Backbone interact. energy: -0.098 local terms energy: -52.717087 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -189.909641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.909641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.909641 (E_RNA) where: Base-Base interactions energy: -118.314 where: short stacking energy: -66.027 Base-Backbone interact. energy: -0.513 local terms energy: -71.082931 where: bonds (distance) C4'-P energy: -17.550 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -16.936 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -15.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -168.423058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.423058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.423058 (E_RNA) where: Base-Base interactions energy: -100.528 where: short stacking energy: -67.611 Base-Backbone interact. energy: -0.021 local terms energy: -67.874585 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -173.889182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.889182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.889182 (E_RNA) where: Base-Base interactions energy: -114.052 where: short stacking energy: -57.031 Base-Backbone interact. energy: -0.039 local terms energy: -59.798215 where: bonds (distance) C4'-P energy: -17.053 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -11.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -110.104055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.104055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.104055 (E_RNA) where: Base-Base interactions energy: -50.163 where: short stacking energy: -43.089 Base-Backbone interact. energy: -0.605 local terms energy: -59.335958 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -114.961370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.961370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.961370 (E_RNA) where: Base-Base interactions energy: -48.405 where: short stacking energy: -48.405 Base-Backbone interact. energy: -0.003 local terms energy: -66.553360 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -16.427 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -16.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -98.572042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.572042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.572042 (E_RNA) where: Base-Base interactions energy: -41.631 where: short stacking energy: -37.779 Base-Backbone interact. energy: 0.032 local terms energy: -56.973229 where: bonds (distance) C4'-P energy: -18.279 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -91.939015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.939015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.939015 (E_RNA) where: Base-Base interactions energy: -40.815 where: short stacking energy: -40.815 Base-Backbone interact. energy: -0.072 local terms energy: -51.051662 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -14.761 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -86.240170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.240170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.240170 (E_RNA) where: Base-Base interactions energy: -33.938 where: short stacking energy: -33.938 Base-Backbone interact. energy: -0.251 local terms energy: -52.050858 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -85.707328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.707328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.707328 (E_RNA) where: Base-Base interactions energy: -41.084 where: short stacking energy: -19.865 Base-Backbone interact. energy: -0.239 local terms energy: -44.384335 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: 3.318 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: 3 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -85.873445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.873445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.873445 (E_RNA) where: Base-Base interactions energy: -37.045 where: short stacking energy: -33.872 Base-Backbone interact. energy: -0.177 local terms energy: -48.650974 where: bonds (distance) C4'-P energy: -16.645 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -7.815 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -191.685198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.685198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.685198 (E_RNA) where: Base-Base interactions energy: -115.052 where: short stacking energy: -70.251 Base-Backbone interact. energy: -0.187 local terms energy: -76.445964 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -13.874 tors. eta vs tors. theta energy: -17.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -186.104732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.104732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.104732 (E_RNA) where: Base-Base interactions energy: -115.296 where: short stacking energy: -58.143 Base-Backbone interact. energy: -0.186 local terms energy: -70.622763 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -12.642 tors. eta vs tors. theta energy: -12.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -170.361035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.361035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.361035 (E_RNA) where: Base-Base interactions energy: -104.697 where: short stacking energy: -68.066 Base-Backbone interact. energy: 0.549 local terms energy: -66.212797 where: bonds (distance) C4'-P energy: -15.237 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -14.768 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -13.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -171.647499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.647499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.647499 (E_RNA) where: Base-Base interactions energy: -116.129 where: short stacking energy: -53.522 Base-Backbone interact. energy: -0.122 local terms energy: -55.397049 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -5.046 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -15.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -137.979964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.979964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.979964 (E_RNA) where: Base-Base interactions energy: -75.118 where: short stacking energy: -52.445 Base-Backbone interact. energy: -0.260 local terms energy: -62.602239 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -14.491 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -12.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -113.454910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.454910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.454910 (E_RNA) where: Base-Base interactions energy: -52.949 where: short stacking energy: -48.476 Base-Backbone interact. energy: -0.060 local terms energy: -60.445235 where: bonds (distance) C4'-P energy: -17.213 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -10.021 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: -12.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -84.013584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.013584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.013584 (E_RNA) where: Base-Base interactions energy: -46.532 where: short stacking energy: -27.769 Base-Backbone interact. energy: -0.377 local terms energy: -37.104200 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -13.383 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: 2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -82.892774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.892774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.892774 (E_RNA) where: Base-Base interactions energy: -31.695 where: short stacking energy: -31.695 Base-Backbone interact. energy: 0.130 local terms energy: -51.327805 where: bonds (distance) C4'-P energy: -9.001 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -86.418905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.418905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.418905 (E_RNA) where: Base-Base interactions energy: -30.851 where: short stacking energy: -31.051 Base-Backbone interact. energy: -0.018 local terms energy: -55.549951 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -10.169 tors. eta vs tors. theta energy: -6.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -77.730798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.730798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.730798 (E_RNA) where: Base-Base interactions energy: -25.028 where: short stacking energy: -21.331 Base-Backbone interact. energy: -0.323 local terms energy: -52.379475 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -11.401 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -179.609021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.609021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.609021 (E_RNA) where: Base-Base interactions energy: -111.783 where: short stacking energy: -57.549 Base-Backbone interact. energy: -0.068 local terms energy: -67.757685 where: bonds (distance) C4'-P energy: -14.983 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -13.180 tors. eta vs tors. theta energy: -11.224 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: 6 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -190.945714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.945714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.945714 (E_RNA) where: Base-Base interactions energy: -117.276 where: short stacking energy: -64.490 Base-Backbone interact. energy: -0.031 local terms energy: -73.637863 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -184.629623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.629623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.629623 (E_RNA) where: Base-Base interactions energy: -118.193 where: short stacking energy: -53.287 Base-Backbone interact. energy: -0.353 local terms energy: -66.083652 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -12.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -169.275079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.275079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.275079 (E_RNA) where: Base-Base interactions energy: -107.122 where: short stacking energy: -50.926 Base-Backbone interact. energy: -0.465 local terms energy: -61.688245 where: bonds (distance) C4'-P energy: -14.161 bonds (distance) P-C4' energy: -12.974 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -15.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -157.542808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.542808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.542808 (E_RNA) where: Base-Base interactions energy: -93.713 where: short stacking energy: -47.106 Base-Backbone interact. energy: -0.008 local terms energy: -63.821847 where: bonds (distance) C4'-P energy: -15.229 bonds (distance) P-C4' energy: -15.081 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -13.003 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: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -109.770117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.770117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.770117 (E_RNA) where: Base-Base interactions energy: -57.121 where: short stacking energy: -37.488 Base-Backbone interact. energy: -1.599 local terms energy: -51.049545 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -6.856 tors. eta vs tors. theta energy: -6.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -95.826790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.826790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.826790 (E_RNA) where: Base-Base interactions energy: -34.449 where: short stacking energy: -33.518 Base-Backbone interact. energy: -0.128 local terms energy: -61.250670 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -11.266 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -83.441242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.441242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.441242 (E_RNA) where: Base-Base interactions energy: -36.419 where: short stacking energy: -32.048 Base-Backbone interact. energy: -0.763 local terms energy: -46.259563 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -12.727 flat angles C4'-P-C4' energy: -11.740 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -83.739631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.739631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.739631 (E_RNA) where: Base-Base interactions energy: -36.403 where: short stacking energy: -30.755 Base-Backbone interact. energy: -0.598 local terms energy: -46.738787 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -17.616 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -84.081537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.081537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.081537 (E_RNA) where: Base-Base interactions energy: -36.926 where: short stacking energy: -19.118 Base-Backbone interact. energy: -0.138 local terms energy: -47.017403 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -2.101 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: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -182.341262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.341262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.341262 (E_RNA) where: Base-Base interactions energy: -111.048 where: short stacking energy: -66.162 Base-Backbone interact. energy: -0.158 local terms energy: -71.135304 where: bonds (distance) C4'-P energy: -13.801 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -16.069 flat angles P-C4'-P energy: -12.500 tors. eta vs tors. theta energy: -13.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -205.254755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.254755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.254755 (E_RNA) where: Base-Base interactions energy: -127.332 where: short stacking energy: -60.605 Base-Backbone interact. energy: -0.168 local terms energy: -77.755314 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -17.703 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -10.660 tors. eta vs tors. theta energy: -18.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -179.530727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.530727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.530727 (E_RNA) where: Base-Base interactions energy: -115.924 where: short stacking energy: -60.850 Base-Backbone interact. energy: -0.006 local terms energy: -63.601638 where: bonds (distance) C4'-P energy: -10.558 bonds (distance) P-C4' energy: -14.207 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -173.390254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.390254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.390254 (E_RNA) where: Base-Base interactions energy: -98.919 where: short stacking energy: -59.041 Base-Backbone interact. energy: -0.029 local terms energy: -74.441719 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -16.311 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -13.221 tors. eta vs tors. theta energy: -14.544 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: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -150.017873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.017873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.017873 (E_RNA) where: Base-Base interactions energy: -83.429 where: short stacking energy: -50.186 Base-Backbone interact. energy: 1.392 local terms energy: -67.980945 where: bonds (distance) C4'-P energy: -17.017 bonds (distance) P-C4' energy: -15.142 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -13.142 tors. eta vs tors. theta energy: -11.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -105.699416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.699416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.699416 (E_RNA) where: Base-Base interactions energy: -50.254 where: short stacking energy: -40.837 Base-Backbone interact. energy: -0.041 local terms energy: -55.404539 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -10.453 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: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -97.727312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.727312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.727312 (E_RNA) where: Base-Base interactions energy: -40.142 where: short stacking energy: -24.707 Base-Backbone interact. energy: -1.241 local terms energy: -56.344669 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -15.126 flat angles P-C4'-P energy: -10.645 tors. eta vs tors. theta energy: -2.611 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: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -85.928429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.928429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.928429 (E_RNA) where: Base-Base interactions energy: -34.843 where: short stacking energy: -34.843 Base-Backbone interact. energy: -0.142 local terms energy: -50.943569 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -7.189 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -7.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -96.476452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.476452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.476452 (E_RNA) where: Base-Base interactions energy: -40.199 where: short stacking energy: -36.037 Base-Backbone interact. energy: -0.097 local terms energy: -56.180521 where: bonds (distance) C4'-P energy: -16.292 bonds (distance) P-C4' energy: -16.281 flat angles C4'-P-C4' energy: -9.963 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -70.232496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.232496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.232496 (E_RNA) where: Base-Base interactions energy: -19.475 where: short stacking energy: -13.836 Base-Backbone interact. energy: -0.285 local terms energy: -50.472194 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -15.477 flat angles P-C4'-P energy: -8.176 tors. eta vs tors. theta energy: -0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -212.806980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.806980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.806980 (E_RNA) where: Base-Base interactions energy: -137.164 where: short stacking energy: -64.189 Base-Backbone interact. energy: -0.593 local terms energy: -75.050056 where: bonds (distance) C4'-P energy: -14.985 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -17.762 flat angles P-C4'-P energy: -10.735 tors. eta vs tors. theta energy: -20.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -171.212238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.212238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.212238 (E_RNA) where: Base-Base interactions energy: -101.429 where: short stacking energy: -51.173 Base-Backbone interact. energy: -0.387 local terms energy: -69.396147 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -16.109 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -13.775 tors. eta vs tors. theta energy: -11.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -170.397336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.397336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.397336 (E_RNA) where: Base-Base interactions energy: -107.609 where: short stacking energy: -63.221 Base-Backbone interact. energy: -0.315 local terms energy: -62.474079 where: bonds (distance) C4'-P energy: -15.833 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -16.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -159.583298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.583298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.583298 (E_RNA) where: Base-Base interactions energy: -109.114 where: short stacking energy: -39.472 Base-Backbone interact. energy: 0.131 local terms energy: -50.600293 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -103.995379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.995379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.995379 (E_RNA) where: Base-Base interactions energy: -45.256 where: short stacking energy: -45.256 Base-Backbone interact. energy: -0.038 local terms energy: -58.700881 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -15.322 flat angles C4'-P-C4' energy: -10.804 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -8.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -124.794724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.794724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.794724 (E_RNA) where: Base-Base interactions energy: -67.705 where: short stacking energy: -32.124 Base-Backbone interact. energy: -0.320 local terms energy: -56.769832 where: bonds (distance) C4'-P energy: -15.440 bonds (distance) P-C4' energy: -11.624 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -85.367468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.367468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.367468 (E_RNA) where: Base-Base interactions energy: -27.727 where: short stacking energy: -27.727 Base-Backbone interact. energy: -0.119 local terms energy: -57.521069 where: bonds (distance) C4'-P energy: -15.039 bonds (distance) P-C4' energy: -17.721 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -92.752800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.752800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.752800 (E_RNA) where: Base-Base interactions energy: -36.233 where: short stacking energy: -36.233 Base-Backbone interact. energy: -0.067 local terms energy: -56.452841 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -9.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -77.759083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.759083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.759083 (E_RNA) where: Base-Base interactions energy: -28.005 where: short stacking energy: -24.291 Base-Backbone interact. energy: -0.109 local terms energy: -49.645887 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -13.266 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -82.487745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.487745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.487745 (E_RNA) where: Base-Base interactions energy: -29.788 where: short stacking energy: -27.327 Base-Backbone interact. energy: -0.306 local terms energy: -52.394202 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -11.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -200.744564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.744564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.744564 (E_RNA) where: Base-Base interactions energy: -127.597 where: short stacking energy: -63.857 Base-Backbone interact. energy: -0.481 local terms energy: -72.666756 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -15.369 flat angles P-C4'-P energy: -11.437 tors. eta vs tors. theta energy: -16.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -171.034012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.034012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.034012 (E_RNA) where: Base-Base interactions energy: -106.391 where: short stacking energy: -64.262 Base-Backbone interact. energy: -0.003 local terms energy: -64.640358 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -11.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -177.472343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.472343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.472343 (E_RNA) where: Base-Base interactions energy: -109.466 where: short stacking energy: -57.634 Base-Backbone interact. energy: -0.001 local terms energy: -68.004750 where: bonds (distance) C4'-P energy: -12.997 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -14.941 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -15.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -159.363030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.363030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.363030 (E_RNA) where: Base-Base interactions energy: -99.170 where: short stacking energy: -37.363 Base-Backbone interact. energy: -0.454 local terms energy: -59.738987 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -10.370 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -10.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -112.879985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.879985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.879985 (E_RNA) where: Base-Base interactions energy: -51.294 where: short stacking energy: -41.474 Base-Backbone interact. energy: -0.220 local terms energy: -61.365523 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -18.190 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -101.712015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.712015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.712015 (E_RNA) where: Base-Base interactions energy: -47.543 where: short stacking energy: -40.697 Base-Backbone interact. energy: -0.028 local terms energy: -54.140468 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -13.943 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -10.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -97.616866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.616866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.616866 (E_RNA) where: Base-Base interactions energy: -43.563 where: short stacking energy: -26.842 Base-Backbone interact. energy: -0.099 local terms energy: -53.955406 where: bonds (distance) C4'-P energy: -15.838 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -16.180 flat angles P-C4'-P energy: -7.836 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -96.912048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.912048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.912048 (E_RNA) where: Base-Base interactions energy: -36.991 where: short stacking energy: -36.991 Base-Backbone interact. energy: -1.080 local terms energy: -58.841652 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -15.355 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -9.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -77.536954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.536954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.536954 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -18.847 Base-Backbone interact. energy: -0.126 local terms energy: -53.965154 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -7.448 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -80.068753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.068753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.068753 (E_RNA) where: Base-Base interactions energy: -33.113 where: short stacking energy: -33.113 Base-Backbone interact. energy: -0.425 local terms energy: -46.530593 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -184.013486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.013486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.013486 (E_RNA) where: Base-Base interactions energy: -108.094 where: short stacking energy: -63.657 Base-Backbone interact. energy: -0.046 local terms energy: -75.873523 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -17.332 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -18.313 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: 2, replica: 8 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -205.812716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.812716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.812716 (E_RNA) where: Base-Base interactions energy: -127.920 where: short stacking energy: -73.317 Base-Backbone interact. energy: 1.075 local terms energy: -78.968088 where: bonds (distance) C4'-P energy: -16.644 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -21.683 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: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -169.194423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.194423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.194423 (E_RNA) where: Base-Base interactions energy: -108.627 where: short stacking energy: -48.931 Base-Backbone interact. energy: -0.769 local terms energy: -59.798495 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -12.024 tors. eta vs tors. theta energy: -8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -167.302578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.302578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.302578 (E_RNA) where: Base-Base interactions energy: -100.264 where: short stacking energy: -56.561 Base-Backbone interact. energy: -0.094 local terms energy: -66.944057 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -17.245 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -15.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -98.925476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.925476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.925476 (E_RNA) where: Base-Base interactions energy: -41.006 where: short stacking energy: -31.072 Base-Backbone interact. energy: -0.053 local terms energy: -57.867286 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -11.111 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -98.551966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.551966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.551966 (E_RNA) where: Base-Base interactions energy: -55.104 where: short stacking energy: -44.869 Base-Backbone interact. energy: -0.141 local terms energy: -43.307323 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -9.622 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -1.718 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: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -93.011351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.011351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.011351 (E_RNA) where: Base-Base interactions energy: -37.701 where: short stacking energy: -31.020 Base-Backbone interact. energy: -0.514 local terms energy: -54.796450 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -82.981380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.981380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.981380 (E_RNA) where: Base-Base interactions energy: -34.481 where: short stacking energy: -28.418 Base-Backbone interact. energy: -0.098 local terms energy: -48.402499 where: bonds (distance) C4'-P energy: -12.774 bonds (distance) P-C4' energy: -17.267 flat angles C4'-P-C4' energy: -9.834 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -95.696620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.696620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.696620 (E_RNA) where: Base-Base interactions energy: -37.680 where: short stacking energy: -29.309 Base-Backbone interact. energy: -0.118 local terms energy: -57.898576 where: bonds (distance) C4'-P energy: -17.000 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -78.930950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.930950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.930950 (E_RNA) where: Base-Base interactions energy: -31.341 where: short stacking energy: -30.672 Base-Backbone interact. energy: 0.410 local terms energy: -48.000296 where: bonds (distance) C4'-P energy: -14.161 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -11.616 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -188.167448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.167448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.167448 (E_RNA) where: Base-Base interactions energy: -118.586 where: short stacking energy: -64.757 Base-Backbone interact. energy: -0.121 local terms energy: -69.460593 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -18.189 flat angles P-C4'-P energy: -11.451 tors. eta vs tors. theta energy: -14.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -179.480939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.480939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.480939 (E_RNA) where: Base-Base interactions energy: -106.540 where: short stacking energy: -56.305 Base-Backbone interact. energy: -0.063 local terms energy: -72.877630 where: bonds (distance) C4'-P energy: -15.787 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -14.866 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: -13.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -178.509007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.509007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.509007 (E_RNA) where: Base-Base interactions energy: -108.066 where: short stacking energy: -65.346 Base-Backbone interact. energy: -0.000 local terms energy: -70.442745 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -16.656 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -17.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -173.577486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.577486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.577486 (E_RNA) where: Base-Base interactions energy: -112.748 where: short stacking energy: -63.529 Base-Backbone interact. energy: -0.026 local terms energy: -60.804061 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -15.329 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -92.577233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.577233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.577233 (E_RNA) where: Base-Base interactions energy: -45.805 where: short stacking energy: -38.209 Base-Backbone interact. energy: -0.072 local terms energy: -46.699883 where: bonds (distance) C4'-P energy: -7.710 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -14.605 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -1.407 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: 19 Temperature: 1.150000 Total energy: -105.888092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.888092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.888092 (E_RNA) where: Base-Base interactions energy: -48.894 where: short stacking energy: -30.590 Base-Backbone interact. energy: -0.006 local terms energy: -56.987983 where: bonds (distance) C4'-P energy: -14.059 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -4.104 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: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -104.720580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.720580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.720580 (E_RNA) where: Base-Base interactions energy: -48.665 where: short stacking energy: -48.665 Base-Backbone interact. energy: -0.066 local terms energy: -55.990135 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -16.098 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -12.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -80.503819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.503819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.503819 (E_RNA) where: Base-Base interactions energy: -30.459 where: short stacking energy: -28.689 Base-Backbone interact. energy: 0.976 local terms energy: -51.020204 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -15.629 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -88.085324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.085324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.085324 (E_RNA) where: Base-Base interactions energy: -39.882 where: short stacking energy: -39.882 Base-Backbone interact. energy: -0.002 local terms energy: -48.201481 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -8.359 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -9.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -91.038762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.038762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.038762 (E_RNA) where: Base-Base interactions energy: -36.936 where: short stacking energy: -30.617 Base-Backbone interact. energy: -0.142 local terms energy: -53.960994 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -10.941 flat angles P-C4'-P energy: -12.075 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -186.327076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.327076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.327076 (E_RNA) where: Base-Base interactions energy: -106.041 where: short stacking energy: -64.341 Base-Backbone interact. energy: -0.365 local terms energy: -79.920343 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -15.510 flat angles C4'-P-C4' energy: -18.441 flat angles P-C4'-P energy: -12.020 tors. eta vs tors. theta energy: -21.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -173.258734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.258734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.258734 (E_RNA) where: Base-Base interactions energy: -104.319 where: short stacking energy: -54.790 Base-Backbone interact. energy: -0.381 local terms energy: -68.558435 where: bonds (distance) C4'-P energy: -15.332 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -15.801 flat angles P-C4'-P energy: -12.788 tors. eta vs tors. theta energy: -10.362 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: 10 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -180.545095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.545095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.545095 (E_RNA) where: Base-Base interactions energy: -109.753 where: short stacking energy: -64.099 Base-Backbone interact. energy: -0.301 local terms energy: -70.490694 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -8.990 flat angles C4'-P-C4' energy: -18.421 flat angles P-C4'-P energy: -13.477 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -175.004778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.004778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.004778 (E_RNA) where: Base-Base interactions energy: -111.281 where: short stacking energy: -59.420 Base-Backbone interact. energy: -0.020 local terms energy: -63.703709 where: bonds (distance) C4'-P energy: -15.487 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -15.989 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -14.368 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: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -97.166425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.166425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.166425 (E_RNA) where: Base-Base interactions energy: -49.346 where: short stacking energy: -39.043 Base-Backbone interact. energy: -0.738 local terms energy: -47.082579 where: bonds (distance) C4'-P energy: -15.940 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -8.769 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -104.833297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.833297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.833297 (E_RNA) where: Base-Base interactions energy: -49.910 where: short stacking energy: -37.021 Base-Backbone interact. energy: -0.315 local terms energy: -54.608195 where: bonds (distance) C4'-P energy: -10.125 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -95.650925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.650925 (E_RNA) where: Base-Base interactions energy: -41.227 where: short stacking energy: -31.170 Base-Backbone interact. energy: -0.655 local terms energy: -53.768710 where: bonds (distance) C4'-P energy: -17.447 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -88.026554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.026554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.026554 (E_RNA) where: Base-Base interactions energy: -36.861 where: short stacking energy: -36.861 Base-Backbone interact. energy: 0.410 local terms energy: -51.575505 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -81.854367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.854367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.854367 (E_RNA) where: Base-Base interactions energy: -36.329 where: short stacking energy: -36.329 Base-Backbone interact. energy: -0.011 local terms energy: -45.514330 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -16.587 flat angles C4'-P-C4' energy: -9.509 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -75.854618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.854618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.854618 (E_RNA) where: Base-Base interactions energy: -24.176 where: short stacking energy: -24.176 Base-Backbone interact. energy: -0.159 local terms energy: -51.519050 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -14.387 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -194.387158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.387158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.387158 (E_RNA) where: Base-Base interactions energy: -115.291 where: short stacking energy: -69.830 Base-Backbone interact. energy: -0.092 local terms energy: -79.003858 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -18.380 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -12.712 tors. eta vs tors. theta energy: -20.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -193.339414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.339414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.339414 (E_RNA) where: Base-Base interactions energy: -117.152 where: short stacking energy: -54.399 Base-Backbone interact. energy: -0.299 local terms energy: -75.888425 where: bonds (distance) C4'-P energy: -16.727 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -13.135 tors. eta vs tors. theta energy: -13.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -176.093371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.093371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.093371 (E_RNA) where: Base-Base interactions energy: -117.117 where: short stacking energy: -55.820 Base-Backbone interact. energy: -0.099 local terms energy: -58.877574 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -16.758 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -9.801 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: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -170.233787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.233787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.233787 (E_RNA) where: Base-Base interactions energy: -102.162 where: short stacking energy: -60.557 Base-Backbone interact. energy: -0.001 local terms energy: -68.070347 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -15.688 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -14.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -116.028403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.028403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.028403 (E_RNA) where: Base-Base interactions energy: -53.151 where: short stacking energy: -53.151 Base-Backbone interact. energy: -0.055 local terms energy: -62.822555 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -119.080746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.080746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.080746 (E_RNA) where: Base-Base interactions energy: -66.520 where: short stacking energy: -38.595 Base-Backbone interact. energy: -0.194 local terms energy: -52.366328 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -13.406 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -6.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -93.565765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.565765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.565765 (E_RNA) where: Base-Base interactions energy: -38.259 where: short stacking energy: -32.382 Base-Backbone interact. energy: 0.713 local terms energy: -56.019716 where: bonds (distance) C4'-P energy: -15.833 bonds (distance) P-C4' energy: -15.688 flat angles C4'-P-C4' energy: -15.868 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -6.063 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: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -89.586448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.586448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.586448 (E_RNA) where: Base-Base interactions energy: -31.761 where: short stacking energy: -25.720 Base-Backbone interact. energy: -0.146 local terms energy: -57.680179 where: bonds (distance) C4'-P energy: -16.057 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -13.424 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -96.197986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.197986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.197986 (E_RNA) where: Base-Base interactions energy: -41.336 where: short stacking energy: -41.336 Base-Backbone interact. energy: -0.016 local terms energy: -54.846108 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -11.304 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -12.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -82.994725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.994725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.994725 (E_RNA) where: Base-Base interactions energy: -36.773 where: short stacking energy: -23.101 Base-Backbone interact. energy: 1.332 local terms energy: -47.553427 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -17.687 flat angles C4'-P-C4' energy: -9.170 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -196.413864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.413864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.413864 (E_RNA) where: Base-Base interactions energy: -120.378 where: short stacking energy: -76.983 Base-Backbone interact. energy: -0.008 local terms energy: -76.027643 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -16.065 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -20.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -196.604776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.604776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.604776 (E_RNA) where: Base-Base interactions energy: -127.325 where: short stacking energy: -63.505 Base-Backbone interact. energy: -0.162 local terms energy: -69.117847 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -16.199 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -16.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -168.756807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.756807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.756807 (E_RNA) where: Base-Base interactions energy: -107.106 where: short stacking energy: -52.005 Base-Backbone interact. energy: -0.645 local terms energy: -61.006147 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -17.993 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -14.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -169.330182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.330182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.330182 (E_RNA) where: Base-Base interactions energy: -101.951 where: short stacking energy: -48.469 Base-Backbone interact. energy: -0.093 local terms energy: -67.286238 where: bonds (distance) C4'-P energy: -17.291 bonds (distance) P-C4' energy: -15.182 flat angles C4'-P-C4' energy: -16.357 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -121.378843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.378843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.378843 (E_RNA) where: Base-Base interactions energy: -55.397 where: short stacking energy: -45.602 Base-Backbone interact. energy: -0.173 local terms energy: -65.808650 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -18.654 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -9.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -109.527114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.527114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.527114 (E_RNA) where: Base-Base interactions energy: -49.350 where: short stacking energy: -46.312 Base-Backbone interact. energy: -0.073 local terms energy: -60.104080 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -10.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -98.044067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.044067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.044067 (E_RNA) where: Base-Base interactions energy: -46.585 where: short stacking energy: -31.372 Base-Backbone interact. energy: -0.891 local terms energy: -50.567783 where: bonds (distance) C4'-P energy: -8.196 bonds (distance) P-C4' energy: -13.993 flat angles C4'-P-C4' energy: -15.188 flat angles P-C4'-P energy: -11.989 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -86.845767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.845767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.845767 (E_RNA) where: Base-Base interactions energy: -41.245 where: short stacking energy: -30.995 Base-Backbone interact. energy: -0.099 local terms energy: -45.501830 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -9.808 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -6.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -90.070139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.070139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.070139 (E_RNA) where: Base-Base interactions energy: -36.543 where: short stacking energy: -31.140 Base-Backbone interact. energy: -0.248 local terms energy: -53.279855 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -10.428 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -85.661842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.661842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.661842 (E_RNA) where: Base-Base interactions energy: -40.722 where: short stacking energy: -26.472 Base-Backbone interact. energy: 0.566 local terms energy: -45.506048 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -15.550 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -196.329259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.329259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.329259 (E_RNA) where: Base-Base interactions energy: -119.734 where: short stacking energy: -71.041 Base-Backbone interact. energy: -1.340 local terms energy: -75.255657 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -11.463 tors. eta vs tors. theta energy: -19.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -184.664722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.664722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.664722 (E_RNA) where: Base-Base interactions energy: -117.955 where: short stacking energy: -52.803 Base-Backbone interact. energy: -0.077 local terms energy: -66.632902 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -17.374 flat angles C4'-P-C4' energy: -17.072 flat angles P-C4'-P energy: -7.552 tors. eta vs tors. theta energy: -12.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -178.294683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.294683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.294683 (E_RNA) where: Base-Base interactions energy: -107.150 where: short stacking energy: -66.336 Base-Backbone interact. energy: 0.013 local terms energy: -71.157513 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -15.692 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -15.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -166.811604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.811604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.811604 (E_RNA) where: Base-Base interactions energy: -103.194 where: short stacking energy: -47.903 Base-Backbone interact. energy: -0.180 local terms energy: -63.437880 where: bonds (distance) C4'-P energy: -15.982 bonds (distance) P-C4' energy: -15.954 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -5.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -102.713481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.713481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.713481 (E_RNA) where: Base-Base interactions energy: -44.418 where: short stacking energy: -36.984 Base-Backbone interact. energy: 1.025 local terms energy: -59.320473 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -8.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -110.971344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.971344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.971344 (E_RNA) where: Base-Base interactions energy: -55.750 where: short stacking energy: -29.452 Base-Backbone interact. energy: 0.348 local terms energy: -55.569596 where: bonds (distance) C4'-P energy: -12.996 bonds (distance) P-C4' energy: -17.390 flat angles C4'-P-C4' energy: -10.300 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -135.036829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.036829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.036829 (E_RNA) where: Base-Base interactions energy: -82.422 where: short stacking energy: -37.127 Base-Backbone interact. energy: -1.051 local terms energy: -51.563780 where: bonds (distance) C4'-P energy: -14.248 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -91.241168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.241168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.241168 (E_RNA) where: Base-Base interactions energy: -38.090 where: short stacking energy: -35.703 Base-Backbone interact. energy: -0.017 local terms energy: -53.133634 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -8.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -90.831179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.831179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.831179 (E_RNA) where: Base-Base interactions energy: -42.321 where: short stacking energy: -27.784 Base-Backbone interact. energy: -0.180 local terms energy: -48.329861 where: bonds (distance) C4'-P energy: -9.894 bonds (distance) P-C4' energy: -11.255 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -7.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -73.095280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.095280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.095280 (E_RNA) where: Base-Base interactions energy: -24.396 where: short stacking energy: -20.383 Base-Backbone interact. energy: -0.402 local terms energy: -48.297795 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -16.059 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: 0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -204.379920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.379920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.379920 (E_RNA) where: Base-Base interactions energy: -126.372 where: short stacking energy: -83.701 Base-Backbone interact. energy: -0.009 local terms energy: -77.998470 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -15.518 flat angles C4'-P-C4' energy: -16.128 flat angles P-C4'-P energy: -12.539 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -174.900613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.900613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.900613 (E_RNA) where: Base-Base interactions energy: -112.917 where: short stacking energy: -49.515 Base-Backbone interact. energy: -0.670 local terms energy: -61.313588 where: bonds (distance) C4'-P energy: -11.022 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -9.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -167.440038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.440038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.440038 (E_RNA) where: Base-Base interactions energy: -96.254 where: short stacking energy: -56.404 Base-Backbone interact. energy: -0.005 local terms energy: -71.180637 where: bonds (distance) C4'-P energy: -16.115 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -11.321 tors. eta vs tors. theta energy: -15.551 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: 4, replica: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -183.897821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.897821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.897821 (E_RNA) where: Base-Base interactions energy: -111.069 where: short stacking energy: -62.264 Base-Backbone interact. energy: -0.318 local terms energy: -72.510691 where: bonds (distance) C4'-P energy: -16.384 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -19.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -122.532972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.532972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.532972 (E_RNA) where: Base-Base interactions energy: -56.201 where: short stacking energy: -47.513 Base-Backbone interact. energy: -0.382 local terms energy: -65.950367 where: bonds (distance) C4'-P energy: -16.250 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -16.626 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -8.341 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: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -98.284860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.284860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.284860 (E_RNA) where: Base-Base interactions energy: -39.732 where: short stacking energy: -33.859 Base-Backbone interact. energy: -0.106 local terms energy: -58.446912 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -153.420301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.420301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.420301 (E_RNA) where: Base-Base interactions energy: -101.751 where: short stacking energy: -41.351 Base-Backbone interact. energy: -0.307 local terms energy: -51.362831 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -17.770 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -96.151548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.151548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.151548 (E_RNA) where: Base-Base interactions energy: -40.558 where: short stacking energy: -39.862 Base-Backbone interact. energy: -0.001 local terms energy: -55.592366 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -8.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -96.315147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.315147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.315147 (E_RNA) where: Base-Base interactions energy: -36.783 where: short stacking energy: -30.518 Base-Backbone interact. energy: -0.032 local terms energy: -59.499763 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -104.098571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.098571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.098571 (E_RNA) where: Base-Base interactions energy: -43.240 where: short stacking energy: -43.240 Base-Backbone interact. energy: -0.183 local terms energy: -60.675678 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -11.922 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: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -204.350271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.350271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.350271 (E_RNA) where: Base-Base interactions energy: -131.214 where: short stacking energy: -72.201 Base-Backbone interact. energy: -0.002 local terms energy: -73.134987 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -16.619 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -20.146 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: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -175.374285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.374285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.374285 (E_RNA) where: Base-Base interactions energy: -109.090 where: short stacking energy: -65.143 Base-Backbone interact. energy: -0.001 local terms energy: -66.283077 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -14.122 flat angles P-C4'-P energy: -9.938 tors. eta vs tors. theta energy: -13.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -178.358599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.358599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.358599 (E_RNA) where: Base-Base interactions energy: -109.280 where: short stacking energy: -51.493 Base-Backbone interact. energy: -0.205 local terms energy: -68.874268 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -14.381 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -12.352 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -182.278566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.278566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.278566 (E_RNA) where: Base-Base interactions energy: -108.601 where: short stacking energy: -58.995 Base-Backbone interact. energy: -0.022 local terms energy: -73.655711 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -16.135 flat angles P-C4'-P energy: -12.501 tors. eta vs tors. theta energy: -16.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -138.540998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.540998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.540998 (E_RNA) where: Base-Base interactions energy: -78.759 where: short stacking energy: -49.946 Base-Backbone interact. energy: -0.350 local terms energy: -59.432577 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -7.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -160.832383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.832383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.832383 (E_RNA) where: Base-Base interactions energy: -107.211 where: short stacking energy: -56.497 Base-Backbone interact. energy: -0.086 local terms energy: -53.535710 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -11.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -86.039815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.039815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.039815 (E_RNA) where: Base-Base interactions energy: -39.922 where: short stacking energy: -39.922 Base-Backbone interact. energy: -0.146 local terms energy: -45.971602 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -9.940 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -6.892 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: 3 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -95.721825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.721825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.721825 (E_RNA) where: Base-Base interactions energy: -41.433 where: short stacking energy: -34.016 Base-Backbone interact. energy: -0.077 local terms energy: -54.211643 where: bonds (distance) C4'-P energy: -6.892 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -10.656 tors. eta vs tors. theta energy: -6.172 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: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -74.039012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.039012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.039012 (E_RNA) where: Base-Base interactions energy: -28.361 where: short stacking energy: -24.056 Base-Backbone interact. energy: -0.084 local terms energy: -45.593082 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: 0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -77.826009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.826009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.826009 (E_RNA) where: Base-Base interactions energy: -28.970 where: short stacking energy: -21.600 Base-Backbone interact. energy: 2.161 local terms energy: -51.016824 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -1.253 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: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -184.961495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.961495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.961495 (E_RNA) where: Base-Base interactions energy: -119.512 where: short stacking energy: -63.121 Base-Backbone interact. energy: -0.178 local terms energy: -65.271931 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -11.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -200.424790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.424790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.424790 (E_RNA) where: Base-Base interactions energy: -126.203 where: short stacking energy: -66.857 Base-Backbone interact. energy: -0.072 local terms energy: -74.149648 where: bonds (distance) C4'-P energy: -15.714 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -15.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -186.861693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.861693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.861693 (E_RNA) where: Base-Base interactions energy: -127.703 where: short stacking energy: -58.604 Base-Backbone interact. energy: -0.126 local terms energy: -59.032430 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -16.065 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -167.922762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.922762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.922762 (E_RNA) where: Base-Base interactions energy: -98.213 where: short stacking energy: -59.571 Base-Backbone interact. energy: -0.194 local terms energy: -69.515673 where: bonds (distance) C4'-P energy: -10.692 bonds (distance) P-C4' energy: -18.873 flat angles C4'-P-C4' energy: -16.003 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -14.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -165.367023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.367023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.367023 (E_RNA) where: Base-Base interactions energy: -94.441 where: short stacking energy: -53.729 Base-Backbone interact. energy: -0.001 local terms energy: -70.924173 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -15.944 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -19.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -126.066051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.066051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.066051 (E_RNA) where: Base-Base interactions energy: -72.986 where: short stacking energy: -38.781 Base-Backbone interact. energy: -0.102 local terms energy: -52.978032 where: bonds (distance) C4'-P energy: -9.917 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -90.772563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.772563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.772563 (E_RNA) where: Base-Base interactions energy: -37.457 where: short stacking energy: -37.457 Base-Backbone interact. energy: -0.089 local terms energy: -53.227175 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -8.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -105.236969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.236969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.236969 (E_RNA) where: Base-Base interactions energy: -53.999 where: short stacking energy: -32.832 Base-Backbone interact. energy: -0.224 local terms energy: -51.014316 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -16.311 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: -2.510 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: 5 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -80.840055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.840055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.840055 (E_RNA) where: Base-Base interactions energy: -30.837 where: short stacking energy: -30.837 Base-Backbone interact. energy: -0.094 local terms energy: -49.908861 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -9.188 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -8.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -68.994638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.994638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.994638 (E_RNA) where: Base-Base interactions energy: -22.804 where: short stacking energy: -21.833 Base-Backbone interact. energy: -0.026 local terms energy: -46.165223 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -15.306 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: 0.368 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: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -188.652242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.652242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.652242 (E_RNA) where: Base-Base interactions energy: -112.766 where: short stacking energy: -64.679 Base-Backbone interact. energy: -0.100 local terms energy: -75.786099 where: bonds (distance) C4'-P energy: -15.333 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -12.197 tors. eta vs tors. theta energy: -16.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -187.357293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.357293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.357293 (E_RNA) where: Base-Base interactions energy: -113.808 where: short stacking energy: -70.101 Base-Backbone interact. energy: -0.021 local terms energy: -73.528259 where: bonds (distance) C4'-P energy: -12.828 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -15.168 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -20.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -179.827975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.827975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.827975 (E_RNA) where: Base-Base interactions energy: -113.769 where: short stacking energy: -64.632 Base-Backbone interact. energy: 0.336 local terms energy: -66.395007 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -11.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -164.270075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.270075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.270075 (E_RNA) where: Base-Base interactions energy: -101.692 where: short stacking energy: -49.995 Base-Backbone interact. energy: 0.323 local terms energy: -62.900533 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -9.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -166.871978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.871978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.871978 (E_RNA) where: Base-Base interactions energy: -99.439 where: short stacking energy: -59.288 Base-Backbone interact. energy: -0.013 local terms energy: -67.420110 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -17.777 flat angles P-C4'-P energy: -7.941 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -109.620926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.620926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.620926 (E_RNA) where: Base-Base interactions energy: -51.230 where: short stacking energy: -39.707 Base-Backbone interact. energy: 0.581 local terms energy: -58.971423 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -15.619 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -104.407126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.407126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.407126 (E_RNA) where: Base-Base interactions energy: -55.061 where: short stacking energy: -33.235 Base-Backbone interact. energy: -0.904 local terms energy: -48.441568 where: bonds (distance) C4'-P energy: -11.047 bonds (distance) P-C4' energy: -9.030 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -8.922 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: 5 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -90.092598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.092598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.092598 (E_RNA) where: Base-Base interactions energy: -38.831 where: short stacking energy: -38.831 Base-Backbone interact. energy: 0.105 local terms energy: -51.367354 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -84.880113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.880113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.880113 (E_RNA) where: Base-Base interactions energy: -31.228 where: short stacking energy: -31.228 Base-Backbone interact. energy: -0.013 local terms energy: -53.639143 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -10.342 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -4.524 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -80.709423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.709423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.709423 (E_RNA) where: Base-Base interactions energy: -29.718 where: short stacking energy: -28.284 Base-Backbone interact. energy: -0.057 local terms energy: -50.934394 where: bonds (distance) C4'-P energy: -16.165 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -11.053 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: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -193.465513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.465513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.465513 (E_RNA) where: Base-Base interactions energy: -120.968 where: short stacking energy: -48.604 Base-Backbone interact. energy: -0.371 local terms energy: -72.126665 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -17.467 flat angles C4'-P-C4' energy: -17.746 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -11.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -180.620350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.620350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.620350 (E_RNA) where: Base-Base interactions energy: -109.068 where: short stacking energy: -68.493 Base-Backbone interact. energy: 0.675 local terms energy: -72.226688 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -16.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -174.856836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.856836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.856836 (E_RNA) where: Base-Base interactions energy: -111.075 where: short stacking energy: -54.433 Base-Backbone interact. energy: -0.120 local terms energy: -63.661157 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -16.772 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -14.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -179.365880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.365880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.365880 (E_RNA) where: Base-Base interactions energy: -113.027 where: short stacking energy: -58.407 Base-Backbone interact. energy: -0.552 local terms energy: -65.787139 where: bonds (distance) C4'-P energy: -14.505 bonds (distance) P-C4' energy: -14.722 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -170.284478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.284478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.284478 (E_RNA) where: Base-Base interactions energy: -95.849 where: short stacking energy: -52.011 Base-Backbone interact. energy: -0.043 local terms energy: -74.392519 where: bonds (distance) C4'-P energy: -17.258 bonds (distance) P-C4' energy: -15.783 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -12.685 tors. eta vs tors. theta energy: -12.804 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: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -104.525945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.525945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.525945 (E_RNA) where: Base-Base interactions energy: -52.491 where: short stacking energy: -35.824 Base-Backbone interact. energy: -0.258 local terms energy: -51.776900 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -92.678800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.678800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.678800 (E_RNA) where: Base-Base interactions energy: -33.145 where: short stacking energy: -32.735 Base-Backbone interact. energy: -0.020 local terms energy: -59.514218 where: bonds (distance) C4'-P energy: -16.128 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -7.622 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: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -94.382499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.382499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.382499 (E_RNA) where: Base-Base interactions energy: -45.494 where: short stacking energy: -36.913 Base-Backbone interact. energy: 0.878 local terms energy: -49.766850 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -14.133 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -5.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -87.449698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.449698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.449698 (E_RNA) where: Base-Base interactions energy: -39.697 where: short stacking energy: -21.832 Base-Backbone interact. energy: 0.976 local terms energy: -48.728445 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -0.150 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: 2 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -76.099873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.099873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.099873 (E_RNA) where: Base-Base interactions energy: -27.878 where: short stacking energy: -24.752 Base-Backbone interact. energy: -0.401 local terms energy: -47.821014 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -15.986 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -189.356249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.356249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.356249 (E_RNA) where: Base-Base interactions energy: -114.070 where: short stacking energy: -77.444 Base-Backbone interact. energy: -0.002 local terms energy: -75.284543 where: bonds (distance) C4'-P energy: -16.930 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -15.966 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -184.307768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.307768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.307768 (E_RNA) where: Base-Base interactions energy: -117.059 where: short stacking energy: -66.644 Base-Backbone interact. energy: -0.007 local terms energy: -67.242616 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -172.257691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.257691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.257691 (E_RNA) where: Base-Base interactions energy: -104.703 where: short stacking energy: -64.413 Base-Backbone interact. energy: -0.642 local terms energy: -66.912913 where: bonds (distance) C4'-P energy: -11.871 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -15.864 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -17.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -166.794997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.794997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.794997 (E_RNA) where: Base-Base interactions energy: -100.487 where: short stacking energy: -51.978 Base-Backbone interact. energy: -0.241 local terms energy: -66.066701 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -13.799 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: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -163.680216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.680216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.680216 (E_RNA) where: Base-Base interactions energy: -102.441 where: short stacking energy: -41.394 Base-Backbone interact. energy: 0.075 local terms energy: -61.313458 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -13.591 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: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -104.705229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.705229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.705229 (E_RNA) where: Base-Base interactions energy: -45.741 where: short stacking energy: -45.741 Base-Backbone interact. energy: -0.000 local terms energy: -58.963439 where: bonds (distance) C4'-P energy: -13.796 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -15.825 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -10.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -142.201564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.201564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.201564 (E_RNA) where: Base-Base interactions energy: -81.637 where: short stacking energy: -35.868 Base-Backbone interact. energy: -0.033 local terms energy: -60.531568 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -15.907 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -9.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -94.096460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.096460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.096460 (E_RNA) where: Base-Base interactions energy: -34.559 where: short stacking energy: -23.596 Base-Backbone interact. energy: -0.149 local terms energy: -59.387833 where: bonds (distance) C4'-P energy: -14.963 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -12.392 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -86.382626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.382626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.382626 (E_RNA) where: Base-Base interactions energy: -38.591 where: short stacking energy: -38.591 Base-Backbone interact. energy: 0.576 local terms energy: -48.368029 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -14.487 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -84.338723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.338723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.338723 (E_RNA) where: Base-Base interactions energy: -28.873 where: short stacking energy: -23.877 Base-Backbone interact. energy: -1.136 local terms energy: -54.330190 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -15.976 flat angles C4'-P-C4' energy: -14.788 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -8.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -188.420452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.420452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.420452 (E_RNA) where: Base-Base interactions energy: -112.824 where: short stacking energy: -63.504 Base-Backbone interact. energy: -0.116 local terms energy: -75.480987 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -13.021 tors. eta vs tors. theta energy: -15.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -177.908740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.908740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.908740 (E_RNA) where: Base-Base interactions energy: -104.340 where: short stacking energy: -61.028 Base-Backbone interact. energy: -0.087 local terms energy: -73.482209 where: bonds (distance) C4'-P energy: -15.808 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -15.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -172.768418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.768418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.768418 (E_RNA) where: Base-Base interactions energy: -101.254 where: short stacking energy: -58.801 Base-Backbone interact. energy: -0.130 local terms energy: -71.384710 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -15.651 flat angles C4'-P-C4' energy: -16.898 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -12.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -166.106421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.106421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.106421 (E_RNA) where: Base-Base interactions energy: -102.825 where: short stacking energy: -56.575 Base-Backbone interact. energy: -0.118 local terms energy: -63.162845 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -14.732 flat angles P-C4'-P energy: -12.211 tors. eta vs tors. theta energy: -12.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -163.644229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.644229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.644229 (E_RNA) where: Base-Base interactions energy: -104.595 where: short stacking energy: -58.275 Base-Backbone interact. energy: -0.024 local terms energy: -59.026072 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -10.869 flat angles C4'-P-C4' energy: -16.508 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -13.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -89.317336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.317336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.317336 (E_RNA) where: Base-Base interactions energy: -31.333 where: short stacking energy: -21.533 Base-Backbone interact. energy: -0.084 local terms energy: -57.899877 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -16.638 flat angles C4'-P-C4' energy: -10.684 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -160.292860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.292860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.292860 (E_RNA) where: Base-Base interactions energy: -98.166 where: short stacking energy: -53.352 Base-Backbone interact. energy: -0.164 local terms energy: -61.962907 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -13.393 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: 8, replica: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -85.641005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.641005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.641005 (E_RNA) where: Base-Base interactions energy: -38.365 where: short stacking energy: -27.150 Base-Backbone interact. energy: 1.416 local terms energy: -48.692499 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -87.344806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.344806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.344806 (E_RNA) where: Base-Base interactions energy: -39.126 where: short stacking energy: -22.296 Base-Backbone interact. energy: -0.129 local terms energy: -48.089920 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: 0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -74.074959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.074959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.074959 (E_RNA) where: Base-Base interactions energy: -26.323 where: short stacking energy: -26.323 Base-Backbone interact. energy: 0.935 local terms energy: -48.686850 where: bonds (distance) C4'-P energy: -13.909 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -16.033 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -197.124455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.124455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.124455 (E_RNA) where: Base-Base interactions energy: -124.941 where: short stacking energy: -74.176 Base-Backbone interact. energy: -0.395 local terms energy: -71.788255 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -13.344 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -12.509 tors. eta vs tors. theta energy: -18.252 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: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -184.144335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.144335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.144335 (E_RNA) where: Base-Base interactions energy: -110.966 where: short stacking energy: -73.381 Base-Backbone interact. energy: -0.094 local terms energy: -73.084063 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -16.587 flat angles C4'-P-C4' energy: -18.498 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -20.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -181.025145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.025145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.025145 (E_RNA) where: Base-Base interactions energy: -107.203 where: short stacking energy: -61.902 Base-Backbone interact. energy: -0.073 local terms energy: -73.749059 where: bonds (distance) C4'-P energy: -16.586 bonds (distance) P-C4' energy: -15.102 flat angles C4'-P-C4' energy: -15.848 flat angles P-C4'-P energy: -11.994 tors. eta vs tors. theta energy: -14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -169.926401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.926401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.926401 (E_RNA) where: Base-Base interactions energy: -99.675 where: short stacking energy: -53.702 Base-Backbone interact. energy: -0.004 local terms energy: -70.246897 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -10.974 tors. eta vs tors. theta energy: -16.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -165.109623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.109623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.109623 (E_RNA) where: Base-Base interactions energy: -97.817 where: short stacking energy: -56.168 Base-Backbone interact. energy: -0.140 local terms energy: -67.152861 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -11.786 tors. eta vs tors. theta energy: -12.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -156.084949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.084949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.084949 (E_RNA) where: Base-Base interactions energy: -98.588 where: short stacking energy: -47.686 Base-Backbone interact. energy: -0.043 local terms energy: -57.453740 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -12.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -93.592778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.592778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.592778 (E_RNA) where: Base-Base interactions energy: -35.271 where: short stacking energy: -35.271 Base-Backbone interact. energy: -0.100 local terms energy: -58.221293 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -100.383707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.383707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.383707 (E_RNA) where: Base-Base interactions energy: -44.432 where: short stacking energy: -34.611 Base-Backbone interact. energy: -0.100 local terms energy: -55.851505 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -87.693188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.693188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.693188 (E_RNA) where: Base-Base interactions energy: -28.860 where: short stacking energy: -28.111 Base-Backbone interact. energy: -0.034 local terms energy: -58.799712 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -17.147 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -11.371 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -75.007872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.007872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.007872 (E_RNA) where: Base-Base interactions energy: -28.008 where: short stacking energy: -27.584 Base-Backbone interact. energy: -0.379 local terms energy: -46.620715 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: 1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -195.583927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.583927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.583927 (E_RNA) where: Base-Base interactions energy: -118.322 where: short stacking energy: -72.045 Base-Backbone interact. energy: -0.200 local terms energy: -77.062735 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -12.857 tors. eta vs tors. theta energy: -18.157 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: 2, replica: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -180.300532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.300532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.300532 (E_RNA) where: Base-Base interactions energy: -106.456 where: short stacking energy: -62.296 Base-Backbone interact. energy: -0.000 local terms energy: -73.844579 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -15.852 flat angles P-C4'-P energy: -9.216 tors. eta vs tors. theta energy: -17.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -208.727755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.727755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.727755 (E_RNA) where: Base-Base interactions energy: -138.330 where: short stacking energy: -62.206 Base-Backbone interact. energy: -0.418 local terms energy: -69.979420 where: bonds (distance) C4'-P energy: -16.297 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -14.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -164.653127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.653127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.653127 (E_RNA) where: Base-Base interactions energy: -99.320 where: short stacking energy: -46.666 Base-Backbone interact. energy: -0.222 local terms energy: -65.111115 where: bonds (distance) C4'-P energy: -15.564 bonds (distance) P-C4' energy: -11.521 flat angles C4'-P-C4' energy: -16.104 flat angles P-C4'-P energy: -11.346 tors. eta vs tors. theta energy: -10.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -162.287082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.287082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.287082 (E_RNA) where: Base-Base interactions energy: -102.516 where: short stacking energy: -59.359 Base-Backbone interact. energy: -0.062 local terms energy: -59.709320 where: bonds (distance) C4'-P energy: -15.815 bonds (distance) P-C4' energy: -10.447 flat angles C4'-P-C4' energy: -9.400 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -149.617837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.617837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.617837 (E_RNA) where: Base-Base interactions energy: -90.787 where: short stacking energy: -38.186 Base-Backbone interact. energy: -0.001 local terms energy: -58.830402 where: bonds (distance) C4'-P energy: -16.467 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -103.902734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.902734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.902734 (E_RNA) where: Base-Base interactions energy: -46.667 where: short stacking energy: -40.507 Base-Backbone interact. energy: -0.123 local terms energy: -57.112580 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -14.461 flat angles C4'-P-C4' energy: -14.983 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -12.196 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: 32 Temperature: 1.250000 Total energy: -101.199236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.199236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.199236 (E_RNA) where: Base-Base interactions energy: -48.569 where: short stacking energy: -25.906 Base-Backbone interact. energy: -0.175 local terms energy: -52.455475 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -78.304565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.304565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.304565 (E_RNA) where: Base-Base interactions energy: -30.809 where: short stacking energy: -30.809 Base-Backbone interact. energy: 0.071 local terms energy: -47.567141 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -91.024022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.024022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.024022 (E_RNA) where: Base-Base interactions energy: -42.525 where: short stacking energy: -32.113 Base-Backbone interact. energy: -0.077 local terms energy: -48.422263 where: bonds (distance) C4'-P energy: -11.023 bonds (distance) P-C4' energy: -15.701 flat angles C4'-P-C4' energy: -10.789 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -6.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -188.468006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.468006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.468006 (E_RNA) where: Base-Base interactions energy: -114.664 where: short stacking energy: -62.573 Base-Backbone interact. energy: -0.818 local terms energy: -72.986352 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -14.483 tors. eta vs tors. theta energy: -15.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -213.973837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.973837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.973837 (E_RNA) where: Base-Base interactions energy: -138.480 where: short stacking energy: -68.223 Base-Backbone interact. energy: -0.379 local terms energy: -75.114153 where: bonds (distance) C4'-P energy: -8.130 bonds (distance) P-C4' energy: -17.785 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -13.304 tors. eta vs tors. theta energy: -20.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -176.208464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.208464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.208464 (E_RNA) where: Base-Base interactions energy: -107.266 where: short stacking energy: -59.531 Base-Backbone interact. energy: -0.096 local terms energy: -68.847226 where: bonds (distance) C4'-P energy: -15.966 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -16.381 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -171.320500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.320500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.320500 (E_RNA) where: Base-Base interactions energy: -99.422 where: short stacking energy: -55.250 Base-Backbone interact. energy: 0.083 local terms energy: -71.981273 where: bonds (distance) C4'-P energy: -16.272 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -16.614 flat angles P-C4'-P energy: -9.506 tors. eta vs tors. theta energy: -15.231 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: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -165.078917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.078917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.078917 (E_RNA) where: Base-Base interactions energy: -95.187 where: short stacking energy: -57.924 Base-Backbone interact. energy: -0.386 local terms energy: -69.506885 where: bonds (distance) C4'-P energy: -14.133 bonds (distance) P-C4' energy: -15.565 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -14.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -152.576243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.576243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.576243 (E_RNA) where: Base-Base interactions energy: -96.288 where: short stacking energy: -49.664 Base-Backbone interact. energy: -0.176 local terms energy: -56.112386 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -1.141 tors. eta vs tors. theta energy: -9.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -100.553661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.553661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.553661 (E_RNA) where: Base-Base interactions energy: -52.153 where: short stacking energy: -31.895 Base-Backbone interact. energy: -0.012 local terms energy: -48.388559 where: bonds (distance) C4'-P energy: -11.913 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -88.019445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.019445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.019445 (E_RNA) where: Base-Base interactions energy: -43.325 where: short stacking energy: -30.867 Base-Backbone interact. energy: -0.116 local terms energy: -44.578261 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -11.412 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -91.003916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.003916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.003916 (E_RNA) where: Base-Base interactions energy: -33.881 where: short stacking energy: -31.933 Base-Backbone interact. energy: -0.028 local terms energy: -57.094636 where: bonds (distance) C4'-P energy: -14.090 bonds (distance) P-C4' energy: -14.840 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -138.461127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.461127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.461127 (E_RNA) where: Base-Base interactions energy: -84.885 where: short stacking energy: -44.891 Base-Backbone interact. energy: -0.033 local terms energy: -53.543320 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -218.243064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.243064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.243064 (E_RNA) where: Base-Base interactions energy: -142.975 where: short stacking energy: -63.009 Base-Backbone interact. energy: -0.760 local terms energy: -74.508680 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -15.293 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -18.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -187.237754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.237754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.237754 (E_RNA) where: Base-Base interactions energy: -114.385 where: short stacking energy: -66.876 Base-Backbone interact. energy: 0.095 local terms energy: -72.947854 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -11.483 tors. eta vs tors. theta energy: -17.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -172.121694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.121694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.121694 (E_RNA) where: Base-Base interactions energy: -111.722 where: short stacking energy: -48.755 Base-Backbone interact. energy: -0.021 local terms energy: -60.378311 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -18.135 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -9.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -182.196375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.196375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.196375 (E_RNA) where: Base-Base interactions energy: -107.637 where: short stacking energy: -64.841 Base-Backbone interact. energy: -0.003 local terms energy: -74.556242 where: bonds (distance) C4'-P energy: -15.598 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -16.065 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -17.690 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: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -164.150474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.150474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.150474 (E_RNA) where: Base-Base interactions energy: -101.792 where: short stacking energy: -59.243 Base-Backbone interact. energy: -0.035 local terms energy: -62.323980 where: bonds (distance) C4'-P energy: -9.155 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -14.081 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: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -159.299768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.299768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.299768 (E_RNA) where: Base-Base interactions energy: -89.618 where: short stacking energy: -49.535 Base-Backbone interact. energy: -0.007 local terms energy: -69.673948 where: bonds (distance) C4'-P energy: -15.767 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -11.740 tors. eta vs tors. theta energy: -13.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -96.203071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.203071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.203071 (E_RNA) where: Base-Base interactions energy: -41.955 where: short stacking energy: -41.955 Base-Backbone interact. energy: -0.580 local terms energy: -53.668292 where: bonds (distance) C4'-P energy: -12.142 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -10.576 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -93.326185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.326185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.326185 (E_RNA) where: Base-Base interactions energy: -49.034 where: short stacking energy: -29.353 Base-Backbone interact. energy: -0.062 local terms energy: -44.230332 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -12.852 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -139.098505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.098505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.098505 (E_RNA) where: Base-Base interactions energy: -79.294 where: short stacking energy: -43.889 Base-Backbone interact. energy: -0.169 local terms energy: -59.635872 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -11.259 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: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -84.940478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.940478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.940478 (E_RNA) where: Base-Base interactions energy: -27.785 where: short stacking energy: -27.785 Base-Backbone interact. energy: -0.003 local terms energy: -57.152874 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -226.739999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.739999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.739999 (E_RNA) where: Base-Base interactions energy: -145.388 where: short stacking energy: -70.516 Base-Backbone interact. energy: -0.587 local terms energy: -80.765297 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -16.634 flat angles P-C4'-P energy: -12.319 tors. eta vs tors. theta energy: -20.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -178.832244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.832244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.832244 (E_RNA) where: Base-Base interactions energy: -103.424 where: short stacking energy: -56.228 Base-Backbone interact. energy: -0.130 local terms energy: -75.278833 where: bonds (distance) C4'-P energy: -16.234 bonds (distance) P-C4' energy: -16.746 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -11.697 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -185.665608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.665608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.665608 (E_RNA) where: Base-Base interactions energy: -119.631 where: short stacking energy: -67.444 Base-Backbone interact. energy: -0.648 local terms energy: -65.386203 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -19.148 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -12.183 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: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -191.358420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.358420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.358420 (E_RNA) where: Base-Base interactions energy: -115.336 where: short stacking energy: -65.251 Base-Backbone interact. energy: -0.004 local terms energy: -76.017954 where: bonds (distance) C4'-P energy: -16.442 bonds (distance) P-C4' energy: -17.604 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -158.946643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.946643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.946643 (E_RNA) where: Base-Base interactions energy: -92.678 where: short stacking energy: -44.586 Base-Backbone interact. energy: -0.167 local terms energy: -66.102285 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -18.197 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -156.239683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.239683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.239683 (E_RNA) where: Base-Base interactions energy: -93.127 where: short stacking energy: -48.754 Base-Backbone interact. energy: -0.328 local terms energy: -62.784876 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -13.107 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: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -87.970300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.970300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.970300 (E_RNA) where: Base-Base interactions energy: -34.743 where: short stacking energy: -30.953 Base-Backbone interact. energy: -0.031 local terms energy: -53.195762 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -8.752 flat angles C4'-P-C4' energy: -12.541 flat angles P-C4'-P energy: -12.360 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -144.828944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.828944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.828944 (E_RNA) where: Base-Base interactions energy: -88.682 where: short stacking energy: -44.931 Base-Backbone interact. energy: -0.054 local terms energy: -56.092960 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -85.641832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.641832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.641832 (E_RNA) where: Base-Base interactions energy: -37.910 where: short stacking energy: -37.910 Base-Backbone interact. energy: -0.172 local terms energy: -47.559978 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -10.772 flat angles C4'-P-C4' energy: -11.121 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -85.460723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.460723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.460723 (E_RNA) where: Base-Base interactions energy: -32.614 where: short stacking energy: -22.578 Base-Backbone interact. energy: -0.178 local terms energy: -52.668063 where: bonds (distance) C4'-P energy: -16.520 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -15.424 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -222.028783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.028783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.028783 (E_RNA) where: Base-Base interactions energy: -145.335 where: short stacking energy: -72.860 Base-Backbone interact. energy: -0.737 local terms energy: -75.957199 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -11.991 tors. eta vs tors. theta energy: -19.099 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: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -190.212743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.212743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.212743 (E_RNA) where: Base-Base interactions energy: -122.916 where: short stacking energy: -55.747 Base-Backbone interact. energy: -0.004 local terms energy: -67.292944 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -16.001 flat angles C4'-P-C4' energy: -16.483 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -10.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -181.688243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.688243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.688243 (E_RNA) where: Base-Base interactions energy: -108.890 where: short stacking energy: -70.374 Base-Backbone interact. energy: -0.268 local terms energy: -72.529883 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -18.115 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -18.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -161.864396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.864396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.864396 (E_RNA) where: Base-Base interactions energy: -91.617 where: short stacking energy: -48.605 Base-Backbone interact. energy: -0.398 local terms energy: -69.848798 where: bonds (distance) C4'-P energy: -15.542 bonds (distance) P-C4' energy: -17.485 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -12.062 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: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -172.126318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.126318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.126318 (E_RNA) where: Base-Base interactions energy: -107.334 where: short stacking energy: -60.611 Base-Backbone interact. energy: -0.257 local terms energy: -64.535000 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -17.322 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -9.340 tors. eta vs tors. theta energy: -11.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -144.327050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.327050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.327050 (E_RNA) where: Base-Base interactions energy: -92.593 where: short stacking energy: -52.582 Base-Backbone interact. energy: -0.649 local terms energy: -51.084362 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -10.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -158.399587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.399587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.399587 (E_RNA) where: Base-Base interactions energy: -92.214 where: short stacking energy: -52.516 Base-Backbone interact. energy: -0.024 local terms energy: -66.161066 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -16.188 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -85.478870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.478870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.478870 (E_RNA) where: Base-Base interactions energy: -31.956 where: short stacking energy: -30.416 Base-Backbone interact. energy: -0.632 local terms energy: -52.890936 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -18.469 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -83.032200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.032200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.032200 (E_RNA) where: Base-Base interactions energy: -25.771 where: short stacking energy: -20.033 Base-Backbone interact. energy: -0.134 local terms energy: -57.127325 where: bonds (distance) C4'-P energy: -14.751 bonds (distance) P-C4' energy: -16.037 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -83.766794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.766794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.766794 (E_RNA) where: Base-Base interactions energy: -32.175 where: short stacking energy: -31.092 Base-Backbone interact. energy: -0.315 local terms energy: -51.276931 where: bonds (distance) C4'-P energy: -9.397 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -11.058 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -213.280759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.280759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.280759 (E_RNA) where: Base-Base interactions energy: -135.386 where: short stacking energy: -61.718 Base-Backbone interact. energy: -0.299 local terms energy: -77.595482 where: bonds (distance) C4'-P energy: -16.292 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -16.227 flat angles P-C4'-P energy: -13.135 tors. eta vs tors. theta energy: -18.169 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: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -190.383673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.383673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.383673 (E_RNA) where: Base-Base interactions energy: -123.688 where: short stacking energy: -53.619 Base-Backbone interact. energy: 0.568 local terms energy: -67.263400 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -15.152 flat angles C4'-P-C4' energy: -16.643 flat angles P-C4'-P energy: -9.648 tors. eta vs tors. theta energy: -11.921 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: 37 Temperature: 1.000000 Total energy: -177.401459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.401459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.401459 (E_RNA) where: Base-Base interactions energy: -108.397 where: short stacking energy: -65.092 Base-Backbone interact. energy: -0.091 local terms energy: -68.913076 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -16.308 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -18.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -178.050123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.050123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.050123 (E_RNA) where: Base-Base interactions energy: -110.148 where: short stacking energy: -54.774 Base-Backbone interact. energy: -0.043 local terms energy: -67.859393 where: bonds (distance) C4'-P energy: -15.072 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -15.824 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -10.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -161.385065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.385065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.385065 (E_RNA) where: Base-Base interactions energy: -99.280 where: short stacking energy: -54.822 Base-Backbone interact. energy: 0.588 local terms energy: -62.692677 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -10.741 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -155.103260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.103260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.103260 (E_RNA) where: Base-Base interactions energy: -88.436 where: short stacking energy: -45.952 Base-Backbone interact. energy: -0.021 local terms energy: -66.645455 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -16.745 flat angles C4'-P-C4' energy: -17.625 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -8.923 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: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -159.128132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.128132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.128132 (E_RNA) where: Base-Base interactions energy: -97.351 where: short stacking energy: -43.867 Base-Backbone interact. energy: 0.523 local terms energy: -62.299902 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -17.028 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -8.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -82.547743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.547743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.547743 (E_RNA) where: Base-Base interactions energy: -34.057 where: short stacking energy: -29.738 Base-Backbone interact. energy: 1.042 local terms energy: -49.532896 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -12.385 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -7.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -97.840798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.840798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.840798 (E_RNA) where: Base-Base interactions energy: -49.361 where: short stacking energy: -34.663 Base-Backbone interact. energy: -0.597 local terms energy: -47.882726 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -9.780 flat angles P-C4'-P energy: -11.620 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -76.494609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.494609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.494609 (E_RNA) where: Base-Base interactions energy: -29.136 where: short stacking energy: -21.907 Base-Backbone interact. energy: -1.126 local terms energy: -46.232101 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -12.127 flat angles C4'-P-C4' energy: -16.881 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: 1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -214.047383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.047383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.047383 (E_RNA) where: Base-Base interactions energy: -145.398 where: short stacking energy: -68.087 Base-Backbone interact. energy: -0.614 local terms energy: -68.035442 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -16.108 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -15.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -198.048858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.048858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.048858 (E_RNA) where: Base-Base interactions energy: -129.803 where: short stacking energy: -56.172 Base-Backbone interact. energy: 0.401 local terms energy: -68.646670 where: bonds (distance) C4'-P energy: -17.079 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -9.599 tors. eta vs tors. theta energy: -11.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -164.681014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.681014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.681014 (E_RNA) where: Base-Base interactions energy: -101.428 where: short stacking energy: -60.480 Base-Backbone interact. energy: -0.043 local terms energy: -63.210732 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -17.917 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -7.136 tors. eta vs tors. theta energy: -12.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -175.952449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.952449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.952449 (E_RNA) where: Base-Base interactions energy: -110.225 where: short stacking energy: -61.320 Base-Backbone interact. energy: -0.239 local terms energy: -65.488062 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -16.599 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -13.508 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: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -168.545228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.545228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.545228 (E_RNA) where: Base-Base interactions energy: -107.630 where: short stacking energy: -62.384 Base-Backbone interact. energy: -0.017 local terms energy: -60.898470 where: bonds (distance) C4'-P energy: -17.249 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -10.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -166.144007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.144007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.144007 (E_RNA) where: Base-Base interactions energy: -104.639 where: short stacking energy: -49.934 Base-Backbone interact. energy: -0.108 local terms energy: -61.396154 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -16.780 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -11.172 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: 38 Temperature: 1.200000 Total energy: -141.934973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.934973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.934973 (E_RNA) where: Base-Base interactions energy: -89.720 where: short stacking energy: -46.410 Base-Backbone interact. energy: 2.441 local terms energy: -54.655068 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -17.255 flat angles C4'-P-C4' energy: -9.920 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -98.211191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.211191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.211191 (E_RNA) where: Base-Base interactions energy: -37.939 where: short stacking energy: -37.939 Base-Backbone interact. energy: -0.488 local terms energy: -59.784459 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -15.571 flat angles C4'-P-C4' energy: -15.829 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -4.533 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: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -96.022310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.022310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.022310 (E_RNA) where: Base-Base interactions energy: -38.458 where: short stacking energy: -25.670 Base-Backbone interact. energy: 0.413 local terms energy: -57.977370 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -10.795 flat angles P-C4'-P energy: -9.457 tors. eta vs tors. theta energy: -6.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -84.395106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.395106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.395106 (E_RNA) where: Base-Base interactions energy: -30.098 where: short stacking energy: -30.098 Base-Backbone interact. energy: -0.093 local terms energy: -54.203701 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -11.335 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -10.870 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -224.639318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.639318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.639318 (E_RNA) where: Base-Base interactions energy: -141.075 where: short stacking energy: -70.649 Base-Backbone interact. energy: -0.856 local terms energy: -82.708235 where: bonds (distance) C4'-P energy: -15.818 bonds (distance) P-C4' energy: -17.420 flat angles C4'-P-C4' energy: -16.420 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -22.192 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: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -193.469999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.469999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.469999 (E_RNA) where: Base-Base interactions energy: -130.477 where: short stacking energy: -48.427 Base-Backbone interact. energy: -0.050 local terms energy: -62.942509 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -17.050 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -7.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -182.496896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.496896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.496896 (E_RNA) where: Base-Base interactions energy: -112.603 where: short stacking energy: -69.039 Base-Backbone interact. energy: -0.003 local terms energy: -69.890370 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -17.298 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -19.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -174.422473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.422473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.422473 (E_RNA) where: Base-Base interactions energy: -107.753 where: short stacking energy: -66.126 Base-Backbone interact. energy: 0.366 local terms energy: -67.035401 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -16.607 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -17.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -168.733977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.733977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.733977 (E_RNA) where: Base-Base interactions energy: -100.962 where: short stacking energy: -58.676 Base-Backbone interact. energy: -0.097 local terms energy: -67.675116 where: bonds (distance) C4'-P energy: -14.682 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -15.304 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -10.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -164.434349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.434349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.434349 (E_RNA) where: Base-Base interactions energy: -118.121 where: short stacking energy: -52.337 Base-Backbone interact. energy: -0.795 local terms energy: -45.518890 where: bonds (distance) C4'-P energy: -3.486 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -10.462 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -11.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -140.618229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.618229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.618229 (E_RNA) where: Base-Base interactions energy: -76.980 where: short stacking energy: -39.577 Base-Backbone interact. energy: -0.019 local terms energy: -63.619912 where: bonds (distance) C4'-P energy: -14.748 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -8.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -85.913659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.913659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.913659 (E_RNA) where: Base-Base interactions energy: -34.355 where: short stacking energy: -33.037 Base-Backbone interact. energy: -0.133 local terms energy: -51.426048 where: bonds (distance) C4'-P energy: -7.405 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -85.443764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.443764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.443764 (E_RNA) where: Base-Base interactions energy: -37.264 where: short stacking energy: -37.264 Base-Backbone interact. energy: -0.183 local terms energy: -47.996123 where: bonds (distance) C4'-P energy: -10.298 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -77.809785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.809785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.809785 (E_RNA) where: Base-Base interactions energy: -29.844 where: short stacking energy: -27.734 Base-Backbone interact. energy: -0.270 local terms energy: -47.695326 where: bonds (distance) C4'-P energy: -10.436 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -8.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -224.911136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.911136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.911136 (E_RNA) where: Base-Base interactions energy: -149.048 where: short stacking energy: -71.255 Base-Backbone interact. energy: -0.624 local terms energy: -75.239284 where: bonds (distance) C4'-P energy: -16.405 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -17.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -191.813150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.813150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.813150 (E_RNA) where: Base-Base interactions energy: -125.532 where: short stacking energy: -51.211 Base-Backbone interact. energy: -0.132 local terms energy: -66.149148 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -17.292 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: -15.294 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: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -186.966251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.966251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.966251 (E_RNA) where: Base-Base interactions energy: -111.033 where: short stacking energy: -68.525 Base-Backbone interact. energy: -0.197 local terms energy: -75.735702 where: bonds (distance) C4'-P energy: -14.968 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -18.608 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -17.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -174.234450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.234450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.234450 (E_RNA) where: Base-Base interactions energy: -102.100 where: short stacking energy: -59.327 Base-Backbone interact. energy: -0.076 local terms energy: -72.057976 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -18.027 flat angles C4'-P-C4' energy: -16.634 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -14.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -165.065457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.065457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.065457 (E_RNA) where: Base-Base interactions energy: -105.929 where: short stacking energy: -44.058 Base-Backbone interact. energy: 0.022 local terms energy: -59.158226 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -16.628 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -12.769 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: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -160.645343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.645343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.645343 (E_RNA) where: Base-Base interactions energy: -96.465 where: short stacking energy: -54.053 Base-Backbone interact. energy: -0.056 local terms energy: -64.125079 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -10.532 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -12.931 tors. eta vs tors. theta energy: -14.319 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: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -148.649088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.649088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.649088 (E_RNA) where: Base-Base interactions energy: -101.630 where: short stacking energy: -45.424 Base-Backbone interact. energy: -0.287 local terms energy: -46.732353 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -11.127 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -8.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -87.787591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.787591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.787591 (E_RNA) where: Base-Base interactions energy: -40.475 where: short stacking energy: -40.475 Base-Backbone interact. energy: 0.461 local terms energy: -47.773416 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -9.121 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -86.991717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.991717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.991717 (E_RNA) where: Base-Base interactions energy: -30.827 where: short stacking energy: -30.827 Base-Backbone interact. energy: -0.012 local terms energy: -56.152857 where: bonds (distance) C4'-P energy: -16.226 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -79.860360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.860360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.860360 (E_RNA) where: Base-Base interactions energy: -33.336 where: short stacking energy: -33.336 Base-Backbone interact. energy: -0.190 local terms energy: -46.334343 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -4.773 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: 1, replica: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -226.090165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.090165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.090165 (E_RNA) where: Base-Base interactions energy: -150.996 where: short stacking energy: -70.053 Base-Backbone interact. energy: -0.389 local terms energy: -74.705344 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -12.003 tors. eta vs tors. theta energy: -17.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -189.368881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.368881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.368881 (E_RNA) where: Base-Base interactions energy: -119.203 where: short stacking energy: -69.432 Base-Backbone interact. energy: -0.776 local terms energy: -69.390091 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -17.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -187.216345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.216345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.216345 (E_RNA) where: Base-Base interactions energy: -121.502 where: short stacking energy: -48.933 Base-Backbone interact. energy: -0.164 local terms energy: -65.550971 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -11.755 flat angles C4'-P-C4' energy: -16.212 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -12.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -171.920809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.920809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.920809 (E_RNA) where: Base-Base interactions energy: -110.918 where: short stacking energy: -61.301 Base-Backbone interact. energy: 0.050 local terms energy: -61.053265 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -8.083 tors. eta vs tors. theta energy: -12.120 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: 41 Temperature: 1.100000 Total energy: -164.152767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.152767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.152767 (E_RNA) where: Base-Base interactions energy: -101.222 where: short stacking energy: -54.214 Base-Backbone interact. energy: -0.075 local terms energy: -62.855009 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -12.626 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: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -157.759193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.759193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.759193 (E_RNA) where: Base-Base interactions energy: -91.258 where: short stacking energy: -50.089 Base-Backbone interact. energy: -0.264 local terms energy: -66.237400 where: bonds (distance) C4'-P energy: -15.104 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -9.692 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: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -150.544021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.544021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.544021 (E_RNA) where: Base-Base interactions energy: -95.534 where: short stacking energy: -48.042 Base-Backbone interact. energy: -0.213 local terms energy: -54.797027 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -11.123 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -84.964408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.964408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.964408 (E_RNA) where: Base-Base interactions energy: -30.351 where: short stacking energy: -30.351 Base-Backbone interact. energy: -0.425 local terms energy: -54.188039 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -15.482 flat angles C4'-P-C4' energy: -14.740 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -83.214439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.214439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.214439 (E_RNA) where: Base-Base interactions energy: -26.702 where: short stacking energy: -26.702 Base-Backbone interact. energy: -0.645 local terms energy: -55.866814 where: bonds (distance) C4'-P energy: -9.113 bonds (distance) P-C4' energy: -12.759 flat angles C4'-P-C4' energy: -16.335 flat angles P-C4'-P energy: -12.383 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -92.924399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.924399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.924399 (E_RNA) where: Base-Base interactions energy: -38.458 where: short stacking energy: -38.458 Base-Backbone interact. energy: -0.328 local terms energy: -54.137950 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -230.347732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.347732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.347732 (E_RNA) where: Base-Base interactions energy: -151.031 where: short stacking energy: -73.720 Base-Backbone interact. energy: -0.350 local terms energy: -78.967282 where: bonds (distance) C4'-P energy: -14.500 bonds (distance) P-C4' energy: -16.624 flat angles C4'-P-C4' energy: -16.374 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -191.147466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.147466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.147466 (E_RNA) where: Base-Base interactions energy: -113.548 where: short stacking energy: -72.116 Base-Backbone interact. energy: -0.117 local terms energy: -77.482969 where: bonds (distance) C4'-P energy: -17.638 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -12.556 tors. eta vs tors. theta energy: -16.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -175.141602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.141602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.141602 (E_RNA) where: Base-Base interactions energy: -105.738 where: short stacking energy: -58.340 Base-Backbone interact. energy: 2.078 local terms energy: -71.481543 where: bonds (distance) C4'-P energy: -14.997 bonds (distance) P-C4' energy: -15.158 flat angles C4'-P-C4' energy: -16.550 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -15.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -176.316514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.316514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.316514 (E_RNA) where: Base-Base interactions energy: -118.777 where: short stacking energy: -46.083 Base-Backbone interact. energy: 0.284 local terms energy: -57.823297 where: bonds (distance) C4'-P energy: -17.291 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -10.343 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -8.335 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: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -164.381359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.381359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.381359 (E_RNA) where: Base-Base interactions energy: -98.452 where: short stacking energy: -45.932 Base-Backbone interact. energy: -0.297 local terms energy: -65.631965 where: bonds (distance) C4'-P energy: -17.936 bonds (distance) P-C4' energy: -15.460 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -7.982 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: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -164.863243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.863243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.863243 (E_RNA) where: Base-Base interactions energy: -110.562 where: short stacking energy: -38.959 Base-Backbone interact. energy: -0.218 local terms energy: -54.082851 where: bonds (distance) C4'-P energy: -14.554 bonds (distance) P-C4' energy: -10.577 flat angles C4'-P-C4' energy: -15.825 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -149.933700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.933700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.933700 (E_RNA) where: Base-Base interactions energy: -93.420 where: short stacking energy: -53.226 Base-Backbone interact. energy: -0.084 local terms energy: -56.429693 where: bonds (distance) C4'-P energy: -4.439 bonds (distance) P-C4' energy: -17.957 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -8.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -81.937921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.937921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.937921 (E_RNA) where: Base-Base interactions energy: -28.154 where: short stacking energy: -28.154 Base-Backbone interact. energy: -0.111 local terms energy: -53.673154 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -87.900443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.900443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.900443 (E_RNA) where: Base-Base interactions energy: -38.651 where: short stacking energy: -35.381 Base-Backbone interact. energy: -0.229 local terms energy: -49.020703 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -83.126601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.126601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.126601 (E_RNA) where: Base-Base interactions energy: -29.820 where: short stacking energy: -29.358 Base-Backbone interact. energy: 1.149 local terms energy: -54.455125 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -14.249 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -6.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -232.120193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.120193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.120193 (E_RNA) where: Base-Base interactions energy: -151.790 where: short stacking energy: -77.111 Base-Backbone interact. energy: -0.475 local terms energy: -79.855465 where: bonds (distance) C4'-P energy: -15.575 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -16.751 flat angles P-C4'-P energy: -12.590 tors. eta vs tors. theta energy: -19.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -183.237755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.237755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.237755 (E_RNA) where: Base-Base interactions energy: -115.568 where: short stacking energy: -67.972 Base-Backbone interact. energy: -0.009 local terms energy: -67.660727 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -15.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -176.522082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.522082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.522082 (E_RNA) where: Base-Base interactions energy: -104.103 where: short stacking energy: -56.422 Base-Backbone interact. energy: -0.125 local terms energy: -72.293380 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -14.482 flat angles C4'-P-C4' energy: -17.181 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -15.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -176.036731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.036731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.036731 (E_RNA) where: Base-Base interactions energy: -107.961 where: short stacking energy: -63.371 Base-Backbone interact. energy: -0.061 local terms energy: -68.014081 where: bonds (distance) C4'-P energy: -16.371 bonds (distance) P-C4' energy: -15.393 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -14.398 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: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -160.508698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.508698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.508698 (E_RNA) where: Base-Base interactions energy: -108.374 where: short stacking energy: -48.204 Base-Backbone interact. energy: -0.261 local terms energy: -51.873439 where: bonds (distance) C4'-P energy: -13.498 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -11.856 tors. eta vs tors. theta energy: -7.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -153.039477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.039477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.039477 (E_RNA) where: Base-Base interactions energy: -100.417 where: short stacking energy: -53.179 Base-Backbone interact. energy: 0.299 local terms energy: -52.920748 where: bonds (distance) C4'-P energy: -14.839 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -12.541 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: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -154.767625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.767625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.767625 (E_RNA) where: Base-Base interactions energy: -84.615 where: short stacking energy: -48.774 Base-Backbone interact. energy: -0.049 local terms energy: -70.103510 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -16.934 flat angles P-C4'-P energy: -12.684 tors. eta vs tors. theta energy: -11.630 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: 43 Temperature: 1.250000 Total energy: -91.726527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.726527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.726527 (E_RNA) where: Base-Base interactions energy: -37.360 where: short stacking energy: -22.436 Base-Backbone interact. energy: -0.021 local terms energy: -54.345923 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -17.107 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -90.346108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.346108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.346108 (E_RNA) where: Base-Base interactions energy: -36.532 where: short stacking energy: -36.532 Base-Backbone interact. energy: -0.140 local terms energy: -53.674777 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -12.043 flat angles C4'-P-C4' energy: -10.174 flat angles P-C4'-P energy: -11.724 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -83.233136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.233136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.233136 (E_RNA) where: Base-Base interactions energy: -36.518 where: short stacking energy: -22.036 Base-Backbone interact. energy: -0.132 local terms energy: -46.582911 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -8.992 flat angles C4'-P-C4' energy: -9.235 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -8.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -226.711587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.711587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.711587 (E_RNA) where: Base-Base interactions energy: -148.583 where: short stacking energy: -68.976 Base-Backbone interact. energy: -0.458 local terms energy: -77.670823 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -16.686 flat angles P-C4'-P energy: -12.805 tors. eta vs tors. theta energy: -18.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -187.404759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.404759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.404759 (E_RNA) where: Base-Base interactions energy: -110.466 where: short stacking energy: -59.175 Base-Backbone interact. energy: -0.093 local terms energy: -76.845868 where: bonds (distance) C4'-P energy: -15.896 bonds (distance) P-C4' energy: -15.013 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -20.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -180.207202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.207202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.207202 (E_RNA) where: Base-Base interactions energy: -115.514 where: short stacking energy: -60.019 Base-Backbone interact. energy: -0.340 local terms energy: -64.353003 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -12.581 tors. eta vs tors. theta energy: -12.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -194.099226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.099226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.099226 (E_RNA) where: Base-Base interactions energy: -126.546 where: short stacking energy: -50.276 Base-Backbone interact. energy: -0.120 local terms energy: -67.433474 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -10.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -164.803162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.803162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.803162 (E_RNA) where: Base-Base interactions energy: -104.514 where: short stacking energy: -57.510 Base-Backbone interact. energy: -0.022 local terms energy: -60.266886 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -9.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -157.729305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.729305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.729305 (E_RNA) where: Base-Base interactions energy: -89.071 where: short stacking energy: -45.617 Base-Backbone interact. energy: 0.168 local terms energy: -68.826210 where: bonds (distance) C4'-P energy: -15.767 bonds (distance) P-C4' energy: -15.692 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -12.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -151.721410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.721410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.721410 (E_RNA) where: Base-Base interactions energy: -90.850 where: short stacking energy: -50.076 Base-Backbone interact. energy: -0.253 local terms energy: -60.618833 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -13.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -93.565397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.565397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.565397 (E_RNA) where: Base-Base interactions energy: -41.368 where: short stacking energy: -35.190 Base-Backbone interact. energy: 1.279 local terms energy: -53.476325 where: bonds (distance) C4'-P energy: -15.854 bonds (distance) P-C4' energy: -10.553 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -84.479241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.479241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.479241 (E_RNA) where: Base-Base interactions energy: -38.756 where: short stacking energy: -38.075 Base-Backbone interact. energy: -0.333 local terms energy: -45.389985 where: bonds (distance) C4'-P energy: -6.008 bonds (distance) P-C4' energy: -18.469 flat angles C4'-P-C4' energy: -10.032 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -75.635236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.635236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.635236 (E_RNA) where: Base-Base interactions energy: -37.464 where: short stacking energy: -26.351 Base-Backbone interact. energy: -0.184 local terms energy: -37.987605 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -15.656 flat angles C4'-P-C4' energy: -10.050 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: 1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -224.472623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.472623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.472623 (E_RNA) where: Base-Base interactions energy: -144.860 where: short stacking energy: -71.392 Base-Backbone interact. energy: -0.475 local terms energy: -79.137981 where: bonds (distance) C4'-P energy: -15.904 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -17.215 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -19.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -173.927183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.927183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.927183 (E_RNA) where: Base-Base interactions energy: -102.532 where: short stacking energy: -57.121 Base-Backbone interact. energy: -0.065 local terms energy: -71.329950 where: bonds (distance) C4'-P energy: -16.260 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -15.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -166.880383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.880383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.880383 (E_RNA) where: Base-Base interactions energy: -102.830 where: short stacking energy: -50.429 Base-Backbone interact. energy: -0.100 local terms energy: -63.950502 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -14.120 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: 8 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -196.907074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.907074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.907074 (E_RNA) where: Base-Base interactions energy: -124.855 where: short stacking energy: -49.445 Base-Backbone interact. energy: -0.106 local terms energy: -71.946625 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -16.579 flat angles P-C4'-P energy: -12.372 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -162.329106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.329106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.329106 (E_RNA) where: Base-Base interactions energy: -97.526 where: short stacking energy: -52.709 Base-Backbone interact. energy: 0.990 local terms energy: -65.792690 where: bonds (distance) C4'-P energy: -15.257 bonds (distance) P-C4' energy: -17.230 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -8.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -155.234001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.234001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.234001 (E_RNA) where: Base-Base interactions energy: -94.843 where: short stacking energy: -55.314 Base-Backbone interact. energy: -0.101 local terms energy: -60.290517 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -16.354 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -11.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -148.069332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.069332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.069332 (E_RNA) where: Base-Base interactions energy: -87.690 where: short stacking energy: -47.143 Base-Backbone interact. energy: -0.065 local terms energy: -60.314984 where: bonds (distance) C4'-P energy: -14.169 bonds (distance) P-C4' energy: -12.332 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -11.824 tors. eta vs tors. theta energy: -10.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -96.857618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.857618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.857618 (E_RNA) where: Base-Base interactions energy: -42.128 where: short stacking energy: -28.629 Base-Backbone interact. energy: -0.491 local terms energy: -54.237886 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -16.829 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -4.095 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -93.416265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.416265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.416265 (E_RNA) where: Base-Base interactions energy: -44.901 where: short stacking energy: -40.770 Base-Backbone interact. energy: -0.003 local terms energy: -48.512470 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -14.900 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -85.562871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.562871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.562871 (E_RNA) where: Base-Base interactions energy: -29.982 where: short stacking energy: -29.688 Base-Backbone interact. energy: -0.193 local terms energy: -55.388155 where: bonds (distance) C4'-P energy: -9.691 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -14.299 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -228.881180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.881180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.881180 (E_RNA) where: Base-Base interactions energy: -151.012 where: short stacking energy: -72.545 Base-Backbone interact. energy: 0.265 local terms energy: -78.134695 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -17.162 flat angles C4'-P-C4' energy: -15.747 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -21.060 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: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -178.082096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.082096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.082096 (E_RNA) where: Base-Base interactions energy: -110.699 where: short stacking energy: -65.091 Base-Backbone interact. energy: -0.016 local terms energy: -67.366460 where: bonds (distance) C4'-P energy: -10.625 bonds (distance) P-C4' energy: -15.246 flat angles C4'-P-C4' energy: -16.463 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -185.260631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.260631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.260631 (E_RNA) where: Base-Base interactions energy: -120.689 where: short stacking energy: -58.606 Base-Backbone interact. energy: -0.441 local terms energy: -64.130042 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -12.505 tors. eta vs tors. theta energy: -13.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -159.361237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.361237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.361237 (E_RNA) where: Base-Base interactions energy: -95.257 where: short stacking energy: -47.951 Base-Backbone interact. energy: -0.841 local terms energy: -63.263102 where: bonds (distance) C4'-P energy: -14.703 bonds (distance) P-C4' energy: -15.154 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -9.055 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: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -172.646765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.646765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.646765 (E_RNA) where: Base-Base interactions energy: -104.141 where: short stacking energy: -51.883 Base-Backbone interact. energy: -0.147 local terms energy: -68.359463 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -10.877 flat angles P-C4'-P energy: -12.528 tors. eta vs tors. theta energy: -18.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -159.487332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.487332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.487332 (E_RNA) where: Base-Base interactions energy: -99.408 where: short stacking energy: -53.153 Base-Backbone interact. energy: -0.543 local terms energy: -59.537231 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -11.559 flat angles C4'-P-C4' energy: -11.663 flat angles P-C4'-P energy: -10.405 tors. eta vs tors. theta energy: -13.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -148.968328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.968328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.968328 (E_RNA) where: Base-Base interactions energy: -85.095 where: short stacking energy: -42.333 Base-Backbone interact. energy: -0.691 local terms energy: -63.182645 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -12.569 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -103.093364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.093364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.093364 (E_RNA) where: Base-Base interactions energy: -54.391 where: short stacking energy: -43.413 Base-Backbone interact. energy: 0.102 local terms energy: -48.804422 where: bonds (distance) C4'-P energy: -12.111 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -83.468246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.468246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.468246 (E_RNA) where: Base-Base interactions energy: -33.421 where: short stacking energy: -28.728 Base-Backbone interact. energy: -0.026 local terms energy: -50.021596 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -15.816 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -2.510 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: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -88.122762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.122762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.122762 (E_RNA) where: Base-Base interactions energy: -36.548 where: short stacking energy: -35.902 Base-Backbone interact. energy: 0.089 local terms energy: -51.663706 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -15.492 flat angles C4'-P-C4' energy: -9.935 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -7.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -227.308866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.308866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.308866 (E_RNA) where: Base-Base interactions energy: -151.773 where: short stacking energy: -73.615 Base-Backbone interact. energy: -0.348 local terms energy: -75.188368 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -15.867 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -19.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -182.267626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.267626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.267626 (E_RNA) where: Base-Base interactions energy: -110.981 where: short stacking energy: -65.206 Base-Backbone interact. energy: -0.093 local terms energy: -71.193919 where: bonds (distance) C4'-P energy: -16.170 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -15.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -181.131647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.131647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.131647 (E_RNA) where: Base-Base interactions energy: -109.788 where: short stacking energy: -66.634 Base-Backbone interact. energy: -0.033 local terms energy: -71.310670 where: bonds (distance) C4'-P energy: -13.727 bonds (distance) P-C4' energy: -14.080 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -19.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -159.762890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.762890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.762890 (E_RNA) where: Base-Base interactions energy: -99.776 where: short stacking energy: -48.562 Base-Backbone interact. energy: -0.180 local terms energy: -59.807132 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -8.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -153.600616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.600616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.600616 (E_RNA) where: Base-Base interactions energy: -91.006 where: short stacking energy: -43.163 Base-Backbone interact. energy: -0.077 local terms energy: -62.517145 where: bonds (distance) C4'-P energy: -10.713 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -10.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -156.607508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.607508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.607508 (E_RNA) where: Base-Base interactions energy: -91.806 where: short stacking energy: -45.581 Base-Backbone interact. energy: -0.615 local terms energy: -64.186356 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -17.567 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -6.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -153.042136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.042136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.042136 (E_RNA) where: Base-Base interactions energy: -88.951 where: short stacking energy: -41.666 Base-Backbone interact. energy: -0.130 local terms energy: -63.960747 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -10.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -90.085803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.085803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.085803 (E_RNA) where: Base-Base interactions energy: -34.748 where: short stacking energy: -34.604 Base-Backbone interact. energy: -0.522 local terms energy: -54.815790 where: bonds (distance) C4'-P energy: -15.415 bonds (distance) P-C4' energy: -15.688 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -84.160145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.160145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.160145 (E_RNA) where: Base-Base interactions energy: -29.542 where: short stacking energy: -26.088 Base-Backbone interact. energy: -0.040 local terms energy: -54.578488 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -12.994 flat angles C4'-P-C4' energy: -16.018 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -80.049652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.049652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.049652 (E_RNA) where: Base-Base interactions energy: -36.900 where: short stacking energy: -36.900 Base-Backbone interact. energy: -0.038 local terms energy: -43.112233 where: bonds (distance) C4'-P energy: -6.465 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -9.594 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -227.134736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.134736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.134736 (E_RNA) where: Base-Base interactions energy: -148.844 where: short stacking energy: -73.729 Base-Backbone interact. energy: -0.470 local terms energy: -77.819959 where: bonds (distance) C4'-P energy: -15.639 bonds (distance) P-C4' energy: -13.199 flat angles C4'-P-C4' energy: -17.202 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -19.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -192.098915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.098915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.098915 (E_RNA) where: Base-Base interactions energy: -120.180 where: short stacking energy: -74.341 Base-Backbone interact. energy: -0.433 local terms energy: -71.485587 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -18.043 flat angles P-C4'-P energy: -10.251 tors. eta vs tors. theta energy: -17.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -179.553342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.553342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.553342 (E_RNA) where: Base-Base interactions energy: -108.995 where: short stacking energy: -61.774 Base-Backbone interact. energy: 0.305 local terms energy: -70.863679 where: bonds (distance) C4'-P energy: -15.383 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -14.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -161.617743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.617743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.617743 (E_RNA) where: Base-Base interactions energy: -98.494 where: short stacking energy: -44.959 Base-Backbone interact. energy: -1.382 local terms energy: -61.741791 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -16.276 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -6.161 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: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -161.532903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.532903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.532903 (E_RNA) where: Base-Base interactions energy: -89.589 where: short stacking energy: -45.696 Base-Backbone interact. energy: -0.100 local terms energy: -71.844360 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -16.839 flat angles C4'-P-C4' energy: -17.488 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -11.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -161.969159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.969159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.969159 (E_RNA) where: Base-Base interactions energy: -97.516 where: short stacking energy: -54.766 Base-Backbone interact. energy: -0.026 local terms energy: -64.426987 where: bonds (distance) C4'-P energy: -16.147 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -17.346 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -9.827 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: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -149.892501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.892501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.892501 (E_RNA) where: Base-Base interactions energy: -90.204 where: short stacking energy: -40.505 Base-Backbone interact. energy: -0.035 local terms energy: -59.654248 where: bonds (distance) C4'-P energy: -13.362 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -10.767 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -8.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -83.206484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.206484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.206484 (E_RNA) where: Base-Base interactions energy: -39.545 where: short stacking energy: -39.385 Base-Backbone interact. energy: -0.393 local terms energy: -43.268310 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -10.399 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -90.116641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.116641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.116641 (E_RNA) where: Base-Base interactions energy: -31.504 where: short stacking energy: -30.209 Base-Backbone interact. energy: -0.148 local terms energy: -58.465238 where: bonds (distance) C4'-P energy: -13.899 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -14.983 flat angles P-C4'-P energy: -12.490 tors. eta vs tors. theta energy: -2.477 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: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -75.297931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.297931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.297931 (E_RNA) where: Base-Base interactions energy: -34.580 where: short stacking energy: -17.187 Base-Backbone interact. energy: -0.252 local terms energy: -40.466686 where: bonds (distance) C4'-P energy: -9.398 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -225.255535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.255535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.255535 (E_RNA) where: Base-Base interactions energy: -152.312 where: short stacking energy: -73.089 Base-Backbone interact. energy: -0.553 local terms energy: -72.389803 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -16.773 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -16.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -176.139404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.139404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.139404 (E_RNA) where: Base-Base interactions energy: -104.070 where: short stacking energy: -61.227 Base-Backbone interact. energy: -0.035 local terms energy: -72.034373 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -16.755 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -11.783 tors. eta vs tors. theta energy: -15.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -174.456318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.456318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.456318 (E_RNA) where: Base-Base interactions energy: -101.672 where: short stacking energy: -56.803 Base-Backbone interact. energy: -0.066 local terms energy: -72.718709 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -18.183 flat angles C4'-P-C4' energy: -16.393 flat angles P-C4'-P energy: -12.196 tors. eta vs tors. theta energy: -13.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -187.513180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.513180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.513180 (E_RNA) where: Base-Base interactions energy: -120.722 where: short stacking energy: -66.296 Base-Backbone interact. energy: -0.136 local terms energy: -66.654827 where: bonds (distance) C4'-P energy: -7.764 bonds (distance) P-C4' energy: -16.737 flat angles C4'-P-C4' energy: -16.369 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -17.676 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: 9 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -163.695277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.695277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.695277 (E_RNA) where: Base-Base interactions energy: -101.593 where: short stacking energy: -47.961 Base-Backbone interact. energy: -0.216 local terms energy: -61.886778 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -8.967 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: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -160.600140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.600140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.600140 (E_RNA) where: Base-Base interactions energy: -104.769 where: short stacking energy: -60.725 Base-Backbone interact. energy: -0.121 local terms energy: -55.710641 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -10.551 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -12.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -146.135029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.135029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.135029 (E_RNA) where: Base-Base interactions energy: -85.935 where: short stacking energy: -40.805 Base-Backbone interact. energy: -0.694 local terms energy: -59.505484 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -15.381 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -9.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -81.382053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.382053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.382053 (E_RNA) where: Base-Base interactions energy: -31.379 where: short stacking energy: -31.000 Base-Backbone interact. energy: -0.181 local terms energy: -49.822449 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -12.788 flat angles C4'-P-C4' energy: -17.368 flat angles P-C4'-P energy: -1.897 tors. eta vs tors. theta energy: -5.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -82.340952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.340952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.340952 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -28.011 Base-Backbone interact. energy: -0.235 local terms energy: -51.671416 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -10.829 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -6.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -88.144813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.144813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.144813 (E_RNA) where: Base-Base interactions energy: -48.528 where: short stacking energy: -21.685 Base-Backbone interact. energy: -0.344 local terms energy: -39.272757 where: bonds (distance) C4'-P energy: -8.385 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -217.870403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.870403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.870403 (E_RNA) where: Base-Base interactions energy: -143.956 where: short stacking energy: -63.654 Base-Backbone interact. energy: -0.704 local terms energy: -73.210621 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -13.521 tors. eta vs tors. theta energy: -14.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -193.476058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.476058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.476058 (E_RNA) where: Base-Base interactions energy: -127.175 where: short stacking energy: -55.778 Base-Backbone interact. energy: 1.374 local terms energy: -67.674954 where: bonds (distance) C4'-P energy: -14.802 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -18.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -188.241884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.241884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.241884 (E_RNA) where: Base-Base interactions energy: -113.994 where: short stacking energy: -55.179 Base-Backbone interact. energy: -0.331 local terms energy: -73.917298 where: bonds (distance) C4'-P energy: -14.600 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -17.138 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -16.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -164.319636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.319636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.319636 (E_RNA) where: Base-Base interactions energy: -100.876 where: short stacking energy: -58.378 Base-Backbone interact. energy: -0.064 local terms energy: -63.380383 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -14.440 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -12.141 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: 10 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -159.196237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.196237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.196237 (E_RNA) where: Base-Base interactions energy: -98.939 where: short stacking energy: -50.499 Base-Backbone interact. energy: -1.106 local terms energy: -59.150601 where: bonds (distance) C4'-P energy: -8.559 bonds (distance) P-C4' energy: -17.632 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -10.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -159.109648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.109648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.109648 (E_RNA) where: Base-Base interactions energy: -96.914 where: short stacking energy: -54.256 Base-Backbone interact. energy: -0.090 local terms energy: -62.105706 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -10.095 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -90.715464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.715464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.715464 (E_RNA) where: Base-Base interactions energy: -41.672 where: short stacking energy: -24.917 Base-Backbone interact. energy: -0.135 local terms energy: -48.907904 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -8.676 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -13.595 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -147.802936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.802936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.802936 (E_RNA) where: Base-Base interactions energy: -84.303 where: short stacking energy: -49.530 Base-Backbone interact. energy: -0.175 local terms energy: -63.325561 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -7.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -82.450684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.450684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.450684 (E_RNA) where: Base-Base interactions energy: -39.190 where: short stacking energy: -26.874 Base-Backbone interact. energy: 0.197 local terms energy: -43.458168 where: bonds (distance) C4'-P energy: -10.671 bonds (distance) P-C4' energy: -14.326 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: 2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -73.296917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.296917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.296917 (E_RNA) where: Base-Base interactions energy: -31.628 where: short stacking energy: -31.151 Base-Backbone interact. energy: -0.098 local terms energy: -41.570900 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -225.938564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.938564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.938564 (E_RNA) where: Base-Base interactions energy: -151.400 where: short stacking energy: -73.187 Base-Backbone interact. energy: -0.766 local terms energy: -73.773044 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -17.091 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -18.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -165.812585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.812585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.812585 (E_RNA) where: Base-Base interactions energy: -98.344 where: short stacking energy: -57.079 Base-Backbone interact. energy: -0.097 local terms energy: -67.372026 where: bonds (distance) C4'-P energy: -17.782 bonds (distance) P-C4' energy: -17.411 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -13.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -172.999466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.999466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.999466 (E_RNA) where: Base-Base interactions energy: -106.942 where: short stacking energy: -54.949 Base-Backbone interact. energy: -0.095 local terms energy: -65.962640 where: bonds (distance) C4'-P energy: -11.901 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -164.882643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.882643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.882643 (E_RNA) where: Base-Base interactions energy: -100.396 where: short stacking energy: -50.919 Base-Backbone interact. energy: -0.019 local terms energy: -64.467958 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -11.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -161.708140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.708140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.708140 (E_RNA) where: Base-Base interactions energy: -100.166 where: short stacking energy: -59.150 Base-Backbone interact. energy: -0.100 local terms energy: -61.441932 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -16.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -173.698804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.698804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.698804 (E_RNA) where: Base-Base interactions energy: -105.568 where: short stacking energy: -62.861 Base-Backbone interact. energy: -0.093 local terms energy: -68.037887 where: bonds (distance) C4'-P energy: -17.382 bonds (distance) P-C4' energy: -16.301 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -10.152 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: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -89.510900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.510900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.510900 (E_RNA) where: Base-Base interactions energy: -51.687 where: short stacking energy: -38.623 Base-Backbone interact. energy: -0.977 local terms energy: -36.846445 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -139.857830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.857830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.857830 (E_RNA) where: Base-Base interactions energy: -80.927 where: short stacking energy: -35.438 Base-Backbone interact. energy: 0.328 local terms energy: -59.259313 where: bonds (distance) C4'-P energy: -9.636 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -74.483297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.483297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.483297 (E_RNA) where: Base-Base interactions energy: -32.536 where: short stacking energy: -23.196 Base-Backbone interact. energy: -0.770 local terms energy: -41.177034 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -15.962 flat angles C4'-P-C4' energy: -10.203 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: 2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -80.941183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.941183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.941183 (E_RNA) where: Base-Base interactions energy: -34.297 where: short stacking energy: -32.764 Base-Backbone interact. energy: -0.129 local terms energy: -46.514865 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -12.672 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -212.438274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.438274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.438274 (E_RNA) where: Base-Base interactions energy: -142.115 where: short stacking energy: -76.340 Base-Backbone interact. energy: -0.631 local terms energy: -69.692211 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -15.716 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -14.867 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: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -177.500116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.500116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.500116 (E_RNA) where: Base-Base interactions energy: -109.092 where: short stacking energy: -62.080 Base-Backbone interact. energy: -0.100 local terms energy: -68.308401 where: bonds (distance) C4'-P energy: -17.105 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -14.625 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: 3, replica: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -166.931471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.931471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.931471 (E_RNA) where: Base-Base interactions energy: -97.299 where: short stacking energy: -51.141 Base-Backbone interact. energy: -0.144 local terms energy: -69.488329 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -17.925 flat angles C4'-P-C4' energy: -15.410 flat angles P-C4'-P energy: -11.929 tors. eta vs tors. theta energy: -9.853 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: 52 Temperature: 1.050000 Total energy: -169.665482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.665482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.665482 (E_RNA) where: Base-Base interactions energy: -106.598 where: short stacking energy: -53.317 Base-Backbone interact. energy: -0.383 local terms energy: -62.684724 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -10.667 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -11.022 tors. eta vs tors. theta energy: -10.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -153.561754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.561754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.561754 (E_RNA) where: Base-Base interactions energy: -95.358 where: short stacking energy: -54.451 Base-Backbone interact. energy: -0.053 local terms energy: -58.150373 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -15.504 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -9.712 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: 52 Temperature: 1.150000 Total energy: -166.619660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.619660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.619660 (E_RNA) where: Base-Base interactions energy: -100.572 where: short stacking energy: -55.368 Base-Backbone interact. energy: -0.440 local terms energy: -65.607678 where: bonds (distance) C4'-P energy: -9.287 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -15.667 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -17.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -161.784445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.784445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.784445 (E_RNA) where: Base-Base interactions energy: -97.211 where: short stacking energy: -55.357 Base-Backbone interact. energy: -0.132 local terms energy: -64.441633 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -11.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -111.614896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.614896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.614896 (E_RNA) where: Base-Base interactions energy: -45.145 where: short stacking energy: -42.337 Base-Backbone interact. energy: -0.003 local terms energy: -66.467600 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -16.758 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -87.991126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.991126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.991126 (E_RNA) where: Base-Base interactions energy: -34.119 where: short stacking energy: -34.306 Base-Backbone interact. energy: 0.005 local terms energy: -53.876198 where: bonds (distance) C4'-P energy: -14.575 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -12.426 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -83.014849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.014849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.014849 (E_RNA) where: Base-Base interactions energy: -33.115 where: short stacking energy: -31.378 Base-Backbone interact. energy: -0.202 local terms energy: -49.697759 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -225.383526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.383526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.383526 (E_RNA) where: Base-Base interactions energy: -149.474 where: short stacking energy: -74.987 Base-Backbone interact. energy: -0.578 local terms energy: -75.331593 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -10.755 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -182.713442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.713442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.713442 (E_RNA) where: Base-Base interactions energy: -122.541 where: short stacking energy: -52.049 Base-Backbone interact. energy: -0.191 local terms energy: -59.981254 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -10.406 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -10.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -182.751251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.751251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.751251 (E_RNA) where: Base-Base interactions energy: -113.001 where: short stacking energy: -65.723 Base-Backbone interact. energy: -0.281 local terms energy: -69.469702 where: bonds (distance) C4'-P energy: -14.952 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -16.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -174.970153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.970153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.970153 (E_RNA) where: Base-Base interactions energy: -104.250 where: short stacking energy: -60.513 Base-Backbone interact. energy: -0.006 local terms energy: -70.713845 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -15.735 flat angles C4'-P-C4' energy: -15.897 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -13.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -161.098929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.098929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.098929 (E_RNA) where: Base-Base interactions energy: -101.771 where: short stacking energy: -56.803 Base-Backbone interact. energy: -0.010 local terms energy: -59.317540 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -12.668 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -11.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -161.845485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.845485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.845485 (E_RNA) where: Base-Base interactions energy: -98.537 where: short stacking energy: -57.100 Base-Backbone interact. energy: -0.245 local terms energy: -63.063383 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -14.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -148.850992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.850992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.850992 (E_RNA) where: Base-Base interactions energy: -84.915 where: short stacking energy: -48.726 Base-Backbone interact. energy: -0.239 local terms energy: -63.697334 where: bonds (distance) C4'-P energy: -11.198 bonds (distance) P-C4' energy: -13.242 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -85.993460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.993460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.993460 (E_RNA) where: Base-Base interactions energy: -24.846 where: short stacking energy: -20.666 Base-Backbone interact. energy: 1.220 local terms energy: -62.366900 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -18.215 flat angles C4'-P-C4' energy: -16.327 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -75.645908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.645908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.645908 (E_RNA) where: Base-Base interactions energy: -30.904 where: short stacking energy: -19.341 Base-Backbone interact. energy: -0.192 local terms energy: -44.550012 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -74.028439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.028439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.028439 (E_RNA) where: Base-Base interactions energy: -30.919 where: short stacking energy: -24.632 Base-Backbone interact. energy: -0.638 local terms energy: -42.471604 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -233.947311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.947311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.947311 (E_RNA) where: Base-Base interactions energy: -154.957 where: short stacking energy: -76.740 Base-Backbone interact. energy: -0.235 local terms energy: -78.755287 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -17.085 flat angles P-C4'-P energy: -14.176 tors. eta vs tors. theta energy: -19.146 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: 54 Temperature: 0.950000 Total energy: -167.467789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.467789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.467789 (E_RNA) where: Base-Base interactions energy: -106.865 where: short stacking energy: -43.993 Base-Backbone interact. energy: 1.085 local terms energy: -61.687630 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -15.129 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -12.837 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -171.040600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.040600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.040600 (E_RNA) where: Base-Base interactions energy: -100.971 where: short stacking energy: -58.942 Base-Backbone interact. energy: -0.121 local terms energy: -69.948178 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -14.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -173.736046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.736046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.736046 (E_RNA) where: Base-Base interactions energy: -100.960 where: short stacking energy: -58.954 Base-Backbone interact. energy: -0.266 local terms energy: -72.509439 where: bonds (distance) C4'-P energy: -15.490 bonds (distance) P-C4' energy: -16.696 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -16.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -175.800404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.800404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.800404 (E_RNA) where: Base-Base interactions energy: -107.004 where: short stacking energy: -61.814 Base-Backbone interact. energy: -0.092 local terms energy: -68.704547 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -14.630 flat angles C4'-P-C4' energy: -18.462 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -15.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -155.831816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.831816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.831816 (E_RNA) where: Base-Base interactions energy: -91.576 where: short stacking energy: -44.952 Base-Backbone interact. energy: -0.002 local terms energy: -64.254170 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -14.781 tors. eta vs tors. theta energy: -12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -99.096133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.096133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.096133 (E_RNA) where: Base-Base interactions energy: -56.301 where: short stacking energy: -34.613 Base-Backbone interact. energy: -0.182 local terms energy: -42.612416 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -143.693977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.693977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.693977 (E_RNA) where: Base-Base interactions energy: -84.715 where: short stacking energy: -42.711 Base-Backbone interact. energy: 0.171 local terms energy: -59.149681 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -9.456 tors. eta vs tors. theta energy: -8.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -82.718256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.718256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.718256 (E_RNA) where: Base-Base interactions energy: -23.023 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.019 local terms energy: -59.676721 where: bonds (distance) C4'-P energy: -13.717 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -12.458 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -92.964980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.964980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.964980 (E_RNA) where: Base-Base interactions energy: -42.089 where: short stacking energy: -25.560 Base-Backbone interact. energy: -0.434 local terms energy: -50.442590 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -14.725 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -3.386 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: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -225.687388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.687388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.687388 (E_RNA) where: Base-Base interactions energy: -149.289 where: short stacking energy: -71.148 Base-Backbone interact. energy: -0.366 local terms energy: -76.033011 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -17.267 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -13.491 tors. eta vs tors. theta energy: -18.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -167.653800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.653800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.653800 (E_RNA) where: Base-Base interactions energy: -103.120 where: short stacking energy: -55.100 Base-Backbone interact. energy: 0.878 local terms energy: -65.412147 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -11.381 tors. eta vs tors. theta energy: -7.283 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: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -183.666492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.666492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.666492 (E_RNA) where: Base-Base interactions energy: -113.650 where: short stacking energy: -62.896 Base-Backbone interact. energy: -0.197 local terms energy: -69.819313 where: bonds (distance) C4'-P energy: -16.534 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -15.270 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -15.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -169.189581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.189581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.189581 (E_RNA) where: Base-Base interactions energy: -100.232 where: short stacking energy: -58.641 Base-Backbone interact. energy: -0.052 local terms energy: -68.905321 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -18.017 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -12.207 tors. eta vs tors. theta energy: -9.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -163.694027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.694027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.694027 (E_RNA) where: Base-Base interactions energy: -95.507 where: short stacking energy: -52.524 Base-Backbone interact. energy: -0.203 local terms energy: -67.983440 where: bonds (distance) C4'-P energy: -16.148 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -16.632 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -10.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -156.504881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.504881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.504881 (E_RNA) where: Base-Base interactions energy: -94.835 where: short stacking energy: -54.058 Base-Backbone interact. energy: -0.009 local terms energy: -61.660312 where: bonds (distance) C4'-P energy: -14.761 bonds (distance) P-C4' energy: -14.853 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -7.333 tors. eta vs tors. theta energy: -13.667 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: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -92.721084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.721084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.721084 (E_RNA) where: Base-Base interactions energy: -49.103 where: short stacking energy: -33.228 Base-Backbone interact. energy: -0.199 local terms energy: -43.419311 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -11.656 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -140.476854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.476854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.476854 (E_RNA) where: Base-Base interactions energy: -84.890 where: short stacking energy: -43.270 Base-Backbone interact. energy: -0.237 local terms energy: -55.348934 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -8.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -145.083515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.083515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.083515 (E_RNA) where: Base-Base interactions energy: -89.710 where: short stacking energy: -49.941 Base-Backbone interact. energy: -0.327 local terms energy: -55.046617 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -7.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -95.893390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.893390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.893390 (E_RNA) where: Base-Base interactions energy: -48.045 where: short stacking energy: -27.149 Base-Backbone interact. energy: -0.191 local terms energy: -47.657122 where: bonds (distance) C4'-P energy: -9.087 bonds (distance) P-C4' energy: -14.126 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -9.031 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -191.422368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.422368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.422368 (E_RNA) where: Base-Base interactions energy: -114.702 where: short stacking energy: -68.981 Base-Backbone interact. energy: -0.149 local terms energy: -76.571440 where: bonds (distance) C4'-P energy: -18.450 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -16.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -226.084107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.084107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.084107 (E_RNA) where: Base-Base interactions energy: -155.055 where: short stacking energy: -76.962 Base-Backbone interact. energy: 0.731 local terms energy: -71.760390 where: bonds (distance) C4'-P energy: -9.776 bonds (distance) P-C4' energy: -17.770 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -20.386 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: 56 Temperature: 1.000000 Total energy: -191.719530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.719530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.719530 (E_RNA) where: Base-Base interactions energy: -121.696 where: short stacking energy: -60.893 Base-Backbone interact. energy: -0.382 local terms energy: -69.642038 where: bonds (distance) C4'-P energy: -15.084 bonds (distance) P-C4' energy: -17.930 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -12.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -169.845990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.845990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.845990 (E_RNA) where: Base-Base interactions energy: -102.157 where: short stacking energy: -57.469 Base-Backbone interact. energy: -0.108 local terms energy: -67.581599 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -18.137 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -12.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -155.880137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.880137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.880137 (E_RNA) where: Base-Base interactions energy: -94.397 where: short stacking energy: -48.133 Base-Backbone interact. energy: 0.601 local terms energy: -62.083450 where: bonds (distance) C4'-P energy: -15.121 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -9.376 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -10.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -188.016079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.016079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.016079 (E_RNA) where: Base-Base interactions energy: -120.428 where: short stacking energy: -62.392 Base-Backbone interact. energy: -0.029 local terms energy: -67.559493 where: bonds (distance) C4'-P energy: -8.593 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -17.830 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -18.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -149.894758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.894758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.894758 (E_RNA) where: Base-Base interactions energy: -86.801 where: short stacking energy: -50.894 Base-Backbone interact. energy: -0.129 local terms energy: -62.964263 where: bonds (distance) C4'-P energy: -13.613 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -12.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -101.016914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.016914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.016914 (E_RNA) where: Base-Base interactions energy: -37.462 where: short stacking energy: -32.971 Base-Backbone interact. energy: -0.170 local terms energy: -63.385846 where: bonds (distance) C4'-P energy: -14.338 bonds (distance) P-C4' energy: -17.019 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -9.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -136.080892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.080892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.080892 (E_RNA) where: Base-Base interactions energy: -82.209 where: short stacking energy: -36.781 Base-Backbone interact. energy: 1.113 local terms energy: -54.985337 where: bonds (distance) C4'-P energy: -8.637 bonds (distance) P-C4' energy: -11.568 flat angles C4'-P-C4' energy: -14.100 flat angles P-C4'-P energy: -10.538 tors. eta vs tors. theta energy: -10.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -88.267827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.267827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.267827 (E_RNA) where: Base-Base interactions energy: -35.516 where: short stacking energy: -34.595 Base-Backbone interact. energy: -0.213 local terms energy: -52.538900 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -9.703 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -184.541335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.541335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.541335 (E_RNA) where: Base-Base interactions energy: -108.893 where: short stacking energy: -58.749 Base-Backbone interact. energy: 0.371 local terms energy: -76.019949 where: bonds (distance) C4'-P energy: -15.245 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -17.906 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: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -226.439978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.439978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.439978 (E_RNA) where: Base-Base interactions energy: -144.894 where: short stacking energy: -71.329 Base-Backbone interact. energy: -0.526 local terms energy: -81.019962 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -16.798 flat angles C4'-P-C4' energy: -16.612 flat angles P-C4'-P energy: -11.679 tors. eta vs tors. theta energy: -19.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -180.506043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.506043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.506043 (E_RNA) where: Base-Base interactions energy: -106.859 where: short stacking energy: -61.261 Base-Backbone interact. energy: -0.254 local terms energy: -73.393568 where: bonds (distance) C4'-P energy: -16.372 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -16.637 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -17.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -161.073506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.073506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.073506 (E_RNA) where: Base-Base interactions energy: -92.458 where: short stacking energy: -51.356 Base-Backbone interact. energy: -0.099 local terms energy: -68.516067 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -16.603 flat angles C4'-P-C4' energy: -9.067 flat angles P-C4'-P energy: -13.235 tors. eta vs tors. theta energy: -16.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -166.799694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.799694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.799694 (E_RNA) where: Base-Base interactions energy: -103.304 where: short stacking energy: -49.639 Base-Backbone interact. energy: -0.101 local terms energy: -63.394444 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -11.565 tors. eta vs tors. theta energy: -13.036 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: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -158.975727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.975727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.975727 (E_RNA) where: Base-Base interactions energy: -91.610 where: short stacking energy: -48.948 Base-Backbone interact. energy: 0.573 local terms energy: -67.938685 where: bonds (distance) C4'-P energy: -14.745 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -13.073 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: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -160.290362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.290362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.290362 (E_RNA) where: Base-Base interactions energy: -95.545 where: short stacking energy: -45.009 Base-Backbone interact. energy: -0.086 local terms energy: -64.659726 where: bonds (distance) C4'-P energy: -16.789 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -10.909 tors. eta vs tors. theta energy: -7.109 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: 8, replica: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -147.005669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.005669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.005669 (E_RNA) where: Base-Base interactions energy: -81.451 where: short stacking energy: -47.830 Base-Backbone interact. energy: -0.464 local terms energy: -65.090738 where: bonds (distance) C4'-P energy: -16.927 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -11.023 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -92.022928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.022928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.022928 (E_RNA) where: Base-Base interactions energy: -42.760 where: short stacking energy: -40.268 Base-Backbone interact. energy: -0.649 local terms energy: -48.613822 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -76.332326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.332326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.332326 (E_RNA) where: Base-Base interactions energy: -30.524 where: short stacking energy: -30.524 Base-Backbone interact. energy: 0.093 local terms energy: -45.901864 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -11.594 flat angles C4'-P-C4' energy: -8.788 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -8.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -221.586858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.586858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.586858 (E_RNA) where: Base-Base interactions energy: -145.919 where: short stacking energy: -73.515 Base-Backbone interact. energy: -0.739 local terms energy: -74.928656 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -19.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -182.994590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.994590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.994590 (E_RNA) where: Base-Base interactions energy: -111.643 where: short stacking energy: -71.097 Base-Backbone interact. energy: -0.069 local terms energy: -71.282880 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -15.278 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -19.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -180.415519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.415519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.415519 (E_RNA) where: Base-Base interactions energy: -109.893 where: short stacking energy: -63.384 Base-Backbone interact. energy: -0.000 local terms energy: -70.522253 where: bonds (distance) C4'-P energy: -15.373 bonds (distance) P-C4' energy: -11.054 flat angles C4'-P-C4' energy: -14.459 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -20.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -183.146555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.146555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.146555 (E_RNA) where: Base-Base interactions energy: -110.642 where: short stacking energy: -58.867 Base-Backbone interact. energy: -0.098 local terms energy: -72.407460 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -17.831 flat angles C4'-P-C4' energy: -17.475 flat angles P-C4'-P energy: -11.530 tors. eta vs tors. theta energy: -14.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -172.886687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.886687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.886687 (E_RNA) where: Base-Base interactions energy: -109.738 where: short stacking energy: -64.136 Base-Backbone interact. energy: -0.206 local terms energy: -62.943349 where: bonds (distance) C4'-P energy: -7.321 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -10.522 tors. eta vs tors. theta energy: -17.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -159.237182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.237182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.237182 (E_RNA) where: Base-Base interactions energy: -92.437 where: short stacking energy: -40.122 Base-Backbone interact. energy: -0.747 local terms energy: -66.053493 where: bonds (distance) C4'-P energy: -17.294 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -16.285 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -12.712 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: 7, replica: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -154.359696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.359696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.359696 (E_RNA) where: Base-Base interactions energy: -93.555 where: short stacking energy: -44.890 Base-Backbone interact. energy: -0.439 local terms energy: -60.365689 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -17.037 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -147.131962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.131962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.131962 (E_RNA) where: Base-Base interactions energy: -90.349 where: short stacking energy: -44.066 Base-Backbone interact. energy: -0.970 local terms energy: -55.812920 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -15.527 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -8.523 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: 9, replica: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -86.099039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.099039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.099039 (E_RNA) where: Base-Base interactions energy: -32.832 where: short stacking energy: -32.764 Base-Backbone interact. energy: -0.024 local terms energy: -53.242843 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -17.756 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -78.748772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.748772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.748772 (E_RNA) where: Base-Base interactions energy: -31.133 where: short stacking energy: -25.554 Base-Backbone interact. energy: -0.155 local terms energy: -47.461280 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -15.539 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: 3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -228.065875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.065875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.065875 (E_RNA) where: Base-Base interactions energy: -151.823 where: short stacking energy: -77.067 Base-Backbone interact. energy: -0.945 local terms energy: -75.297403 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -10.821 tors. eta vs tors. theta energy: -19.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -191.458631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.458631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.458631 (E_RNA) where: Base-Base interactions energy: -121.358 where: short stacking energy: -59.106 Base-Backbone interact. energy: -0.103 local terms energy: -69.997515 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -16.186 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -168.440549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.440549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.440549 (E_RNA) where: Base-Base interactions energy: -100.976 where: short stacking energy: -58.067 Base-Backbone interact. energy: -0.057 local terms energy: -67.407594 where: bonds (distance) C4'-P energy: -17.422 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -15.346 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -14.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -166.729093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.729093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.729093 (E_RNA) where: Base-Base interactions energy: -109.247 where: short stacking energy: -51.245 Base-Backbone interact. energy: -0.119 local terms energy: -57.363004 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -8.294 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: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -164.371983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.371983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.371983 (E_RNA) where: Base-Base interactions energy: -103.238 where: short stacking energy: -54.922 Base-Backbone interact. energy: -0.003 local terms energy: -61.130913 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -16.245 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -13.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -157.356218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.356218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.356218 (E_RNA) where: Base-Base interactions energy: -95.516 where: short stacking energy: -47.726 Base-Backbone interact. energy: -0.001 local terms energy: -61.838573 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -19.395 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -12.606 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: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -147.536614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.536614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.536614 (E_RNA) where: Base-Base interactions energy: -97.159 where: short stacking energy: -38.677 Base-Backbone interact. energy: -0.133 local terms energy: -50.244091 where: bonds (distance) C4'-P energy: -9.865 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -17.772 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -150.128099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.128099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.128099 (E_RNA) where: Base-Base interactions energy: -95.853 where: short stacking energy: -53.077 Base-Backbone interact. energy: -0.189 local terms energy: -54.085520 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -15.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -73.739046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.739046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.739046 (E_RNA) where: Base-Base interactions energy: -28.094 where: short stacking energy: -23.854 Base-Backbone interact. energy: 0.202 local terms energy: -45.847790 where: bonds (distance) C4'-P energy: -11.184 bonds (distance) P-C4' energy: -11.759 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -85.651973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.651973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.651973 (E_RNA) where: Base-Base interactions energy: -39.381 where: short stacking energy: -39.381 Base-Backbone interact. energy: -0.000 local terms energy: -46.270701 where: bonds (distance) C4'-P energy: -17.712 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -0.166 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -187.234957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.234957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.234957 (E_RNA) where: Base-Base interactions energy: -111.258 where: short stacking energy: -64.218 Base-Backbone interact. energy: -0.079 local terms energy: -75.898227 where: bonds (distance) C4'-P energy: -15.084 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -13.231 tors. eta vs tors. theta energy: -16.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -227.382567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.382567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.382567 (E_RNA) where: Base-Base interactions energy: -150.732 where: short stacking energy: -73.410 Base-Backbone interact. energy: -0.546 local terms energy: -76.105212 where: bonds (distance) C4'-P energy: -15.375 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -12.009 tors. eta vs tors. theta energy: -20.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -175.327799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.327799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.327799 (E_RNA) where: Base-Base interactions energy: -112.659 where: short stacking energy: -53.273 Base-Backbone interact. energy: -0.231 local terms energy: -62.438395 where: bonds (distance) C4'-P energy: -16.242 bonds (distance) P-C4' energy: -13.168 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -12.640 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: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -174.833798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.833798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.833798 (E_RNA) where: Base-Base interactions energy: -111.691 where: short stacking energy: -62.900 Base-Backbone interact. energy: -0.293 local terms energy: -62.850092 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -17.230 flat angles C4'-P-C4' energy: -16.390 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -13.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -165.710316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.710316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.710316 (E_RNA) where: Base-Base interactions energy: -99.160 where: short stacking energy: -60.588 Base-Backbone interact. energy: -0.125 local terms energy: -66.425368 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -16.648 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -10.628 tors. eta vs tors. theta energy: -10.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -153.048817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.048817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.048817 (E_RNA) where: Base-Base interactions energy: -94.661 where: short stacking energy: -54.923 Base-Backbone interact. energy: -0.048 local terms energy: -58.339477 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -14.813 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -11.604 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: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -155.923147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.923147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.923147 (E_RNA) where: Base-Base interactions energy: -96.662 where: short stacking energy: -47.877 Base-Backbone interact. energy: -0.046 local terms energy: -59.216004 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -17.936 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -147.552713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.552713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.552713 (E_RNA) where: Base-Base interactions energy: -89.218 where: short stacking energy: -46.325 Base-Backbone interact. energy: 0.207 local terms energy: -58.541364 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -16.060 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -9.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -79.279853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.279853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.279853 (E_RNA) where: Base-Base interactions energy: -34.240 where: short stacking energy: -21.652 Base-Backbone interact. energy: -0.893 local terms energy: -44.146687 where: bonds (distance) C4'-P energy: -10.827 bonds (distance) P-C4' energy: -15.307 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: 0.868 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: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -84.113073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.113073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.113073 (E_RNA) where: Base-Base interactions energy: -30.486 where: short stacking energy: -29.043 Base-Backbone interact. energy: -0.024 local terms energy: -53.603179 where: bonds (distance) C4'-P energy: -16.421 bonds (distance) P-C4' energy: -12.942 flat angles C4'-P-C4' energy: -15.139 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -194.747303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.747303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.747303 (E_RNA) where: Base-Base interactions energy: -111.088 where: short stacking energy: -70.078 Base-Backbone interact. energy: -0.000 local terms energy: -83.658854 where: bonds (distance) C4'-P energy: -15.278 bonds (distance) P-C4' energy: -17.933 flat angles C4'-P-C4' energy: -17.859 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -20.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -179.153935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.153935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.153935 (E_RNA) where: Base-Base interactions energy: -109.433 where: short stacking energy: -61.306 Base-Backbone interact. energy: -0.487 local terms energy: -69.233185 where: bonds (distance) C4'-P energy: -16.329 bonds (distance) P-C4' energy: -10.748 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -13.462 tors. eta vs tors. theta energy: -14.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -223.696101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.696101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.696101 (E_RNA) where: Base-Base interactions energy: -145.338 where: short stacking energy: -72.134 Base-Backbone interact. energy: 0.321 local terms energy: -78.679205 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -18.454 flat angles P-C4'-P energy: -12.467 tors. eta vs tors. theta energy: -18.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -157.714259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.714259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.714259 (E_RNA) where: Base-Base interactions energy: -99.818 where: short stacking energy: -32.509 Base-Backbone interact. energy: -0.564 local terms energy: -57.331925 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -13.275 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -166.519400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.519400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.519400 (E_RNA) where: Base-Base interactions energy: -97.796 where: short stacking energy: -56.059 Base-Backbone interact. energy: -0.052 local terms energy: -68.671035 where: bonds (distance) C4'-P energy: -17.952 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -16.689 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -13.906 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: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -159.918472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.918472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.918472 (E_RNA) where: Base-Base interactions energy: -100.115 where: short stacking energy: -56.966 Base-Backbone interact. energy: -0.015 local terms energy: -59.788731 where: bonds (distance) C4'-P energy: -5.802 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -10.460 tors. eta vs tors. theta energy: -15.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -145.132901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.132901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.132901 (E_RNA) where: Base-Base interactions energy: -87.689 where: short stacking energy: -39.279 Base-Backbone interact. energy: -0.102 local terms energy: -57.341740 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -14.805 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -95.021950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.021950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.021950 (E_RNA) where: Base-Base interactions energy: -47.444 where: short stacking energy: -26.173 Base-Backbone interact. energy: -0.063 local terms energy: -47.514141 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -15.829 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -3.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -147.583810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.583810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.583810 (E_RNA) where: Base-Base interactions energy: -90.627 where: short stacking energy: -50.658 Base-Backbone interact. energy: -0.052 local terms energy: -56.904680 where: bonds (distance) C4'-P energy: -9.056 bonds (distance) P-C4' energy: -17.163 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -11.298 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -76.893280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.893280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.893280 (E_RNA) where: Base-Base interactions energy: -36.289 where: short stacking energy: -35.960 Base-Backbone interact. energy: 0.760 local terms energy: -41.364704 where: bonds (distance) C4'-P energy: -16.698 bonds (distance) P-C4' energy: -5.593 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -0.583 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: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -188.051667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.051667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.051667 (E_RNA) where: Base-Base interactions energy: -110.739 where: short stacking energy: -66.243 Base-Backbone interact. energy: -0.071 local terms energy: -77.241256 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -18.368 flat angles C4'-P-C4' energy: -16.727 flat angles P-C4'-P energy: -12.929 tors. eta vs tors. theta energy: -16.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -185.039993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.039993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.039993 (E_RNA) where: Base-Base interactions energy: -113.716 where: short stacking energy: -57.603 Base-Backbone interact. energy: -0.192 local terms energy: -71.132292 where: bonds (distance) C4'-P energy: -17.560 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -13.061 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: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -212.153557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.153557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.153557 (E_RNA) where: Base-Base interactions energy: -143.675 where: short stacking energy: -70.059 Base-Backbone interact. energy: -0.345 local terms energy: -68.134024 where: bonds (distance) C4'-P energy: -9.816 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -19.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -170.216532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.216532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.216532 (E_RNA) where: Base-Base interactions energy: -103.932 where: short stacking energy: -58.970 Base-Backbone interact. energy: -0.790 local terms energy: -65.494814 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -13.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -150.873779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.873779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.873779 (E_RNA) where: Base-Base interactions energy: -89.670 where: short stacking energy: -45.241 Base-Backbone interact. energy: 0.520 local terms energy: -61.724323 where: bonds (distance) C4'-P energy: -14.968 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -7.026 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -147.591494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.591494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.591494 (E_RNA) where: Base-Base interactions energy: -85.696 where: short stacking energy: -42.075 Base-Backbone interact. energy: -0.857 local terms energy: -61.038632 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -12.697 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -147.468232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.468232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.468232 (E_RNA) where: Base-Base interactions energy: -92.970 where: short stacking energy: -48.078 Base-Backbone interact. energy: -0.251 local terms energy: -54.246964 where: bonds (distance) C4'-P energy: -8.663 bonds (distance) P-C4' energy: -16.663 flat angles C4'-P-C4' energy: -10.645 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -8.249 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: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -91.381602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.381602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.381602 (E_RNA) where: Base-Base interactions energy: -46.967 where: short stacking energy: -24.858 Base-Backbone interact. energy: -0.164 local terms energy: -44.250069 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -14.989 flat angles C4'-P-C4' energy: -9.407 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -154.121321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.121321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.121321 (E_RNA) where: Base-Base interactions energy: -88.676 where: short stacking energy: -49.623 Base-Backbone interact. energy: 1.802 local terms energy: -67.247017 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -13.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -80.639625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.639625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.639625 (E_RNA) where: Base-Base interactions energy: -29.992 where: short stacking energy: -29.992 Base-Backbone interact. energy: -0.065 local terms energy: -50.582634 where: bonds (distance) C4'-P energy: -14.818 bonds (distance) P-C4' energy: -16.733 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -179.076212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.076212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.076212 (E_RNA) where: Base-Base interactions energy: -98.294 where: short stacking energy: -53.343 Base-Backbone interact. energy: 0.010 local terms energy: -80.791257 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -17.202 flat angles C4'-P-C4' energy: -17.398 flat angles P-C4'-P energy: -12.746 tors. eta vs tors. theta energy: -18.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -194.114374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.114374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.114374 (E_RNA) where: Base-Base interactions energy: -125.928 where: short stacking energy: -65.863 Base-Backbone interact. energy: -0.422 local terms energy: -67.763846 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -13.395 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: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -177.181150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.181150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.181150 (E_RNA) where: Base-Base interactions energy: -111.752 where: short stacking energy: -61.853 Base-Backbone interact. energy: -0.050 local terms energy: -65.379451 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -17.026 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -11.752 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: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -170.025317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.025317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.025317 (E_RNA) where: Base-Base interactions energy: -99.836 where: short stacking energy: -57.450 Base-Backbone interact. energy: -0.265 local terms energy: -69.925178 where: bonds (distance) C4'-P energy: -16.706 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -18.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -158.654129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.654129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.654129 (E_RNA) where: Base-Base interactions energy: -102.881 where: short stacking energy: -56.187 Base-Backbone interact. energy: -0.184 local terms energy: -55.589885 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -10.212 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: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -156.173216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.173216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.173216 (E_RNA) where: Base-Base interactions energy: -92.558 where: short stacking energy: -47.999 Base-Backbone interact. energy: -0.062 local terms energy: -63.553496 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -14.726 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -10.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -144.484922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.484922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.484922 (E_RNA) where: Base-Base interactions energy: -91.469 where: short stacking energy: -36.664 Base-Backbone interact. energy: -0.381 local terms energy: -52.635001 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -6.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -146.895622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.895622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.895622 (E_RNA) where: Base-Base interactions energy: -100.691 where: short stacking energy: -50.240 Base-Backbone interact. energy: -0.009 local terms energy: -46.196028 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -10.580 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: 5 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -89.740042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.740042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.740042 (E_RNA) where: Base-Base interactions energy: -34.220 where: short stacking energy: -30.722 Base-Backbone interact. energy: -0.309 local terms energy: -55.211069 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -11.161 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -9.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -77.566103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.566103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.566103 (E_RNA) where: Base-Base interactions energy: -34.312 where: short stacking energy: -31.346 Base-Backbone interact. energy: -0.288 local terms energy: -42.966338 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -8.533 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -193.807877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.807877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.807877 (E_RNA) where: Base-Base interactions energy: -127.971 where: short stacking energy: -57.069 Base-Backbone interact. energy: -0.496 local terms energy: -65.341150 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -10.206 flat angles C4'-P-C4' energy: -15.492 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -14.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -180.506180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.506180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.506180 (E_RNA) where: Base-Base interactions energy: -118.017 where: short stacking energy: -57.134 Base-Backbone interact. energy: 0.112 local terms energy: -62.601182 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -17.094 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -11.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -179.429382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.429382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.429382 (E_RNA) where: Base-Base interactions energy: -107.026 where: short stacking energy: -66.299 Base-Backbone interact. energy: -0.158 local terms energy: -72.245118 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -15.996 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -20.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -184.446378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.446378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.446378 (E_RNA) where: Base-Base interactions energy: -108.318 where: short stacking energy: -65.575 Base-Backbone interact. energy: -0.011 local terms energy: -76.117163 where: bonds (distance) C4'-P energy: -14.578 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -16.003 flat angles P-C4'-P energy: -13.294 tors. eta vs tors. theta energy: -18.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -153.444654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.444654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.444654 (E_RNA) where: Base-Base interactions energy: -93.596 where: short stacking energy: -42.575 Base-Backbone interact. energy: 0.034 local terms energy: -59.882084 where: bonds (distance) C4'-P energy: -10.483 bonds (distance) P-C4' energy: -18.676 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -13.164 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: 64 Temperature: 1.150000 Total energy: -161.324283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.324283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.324283 (E_RNA) where: Base-Base interactions energy: -98.051 where: short stacking energy: -51.280 Base-Backbone interact. energy: -0.035 local terms energy: -63.238197 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -17.288 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: -9.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -147.218706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.218706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.218706 (E_RNA) where: Base-Base interactions energy: -96.998 where: short stacking energy: -41.311 Base-Backbone interact. energy: -0.175 local terms energy: -50.045488 where: bonds (distance) C4'-P energy: -10.128 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -10.073 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -7.423 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: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -156.737802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.737802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.737802 (E_RNA) where: Base-Base interactions energy: -98.801 where: short stacking energy: -56.425 Base-Backbone interact. energy: -0.016 local terms energy: -57.921040 where: bonds (distance) C4'-P energy: -7.715 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -7.777 tors. eta vs tors. theta energy: -13.107 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: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -81.175077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.175077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.175077 (E_RNA) where: Base-Base interactions energy: -29.059 where: short stacking energy: -28.218 Base-Backbone interact. energy: -0.037 local terms energy: -52.078726 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -69.457053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.457053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.457053 (E_RNA) where: Base-Base interactions energy: -20.608 where: short stacking energy: -16.611 Base-Backbone interact. energy: 0.251 local terms energy: -49.099886 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -17.054 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: 1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -214.687060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.687060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.687060 (E_RNA) where: Base-Base interactions energy: -135.039 where: short stacking energy: -67.705 Base-Backbone interact. energy: -0.363 local terms energy: -79.285297 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -14.387 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -12.554 tors. eta vs tors. theta energy: -20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -174.235776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.235776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.235776 (E_RNA) where: Base-Base interactions energy: -104.953 where: short stacking energy: -57.912 Base-Backbone interact. energy: 0.596 local terms energy: -69.879105 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -14.835 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -163.333627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.333627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.333627 (E_RNA) where: Base-Base interactions energy: -97.463 where: short stacking energy: -46.703 Base-Backbone interact. energy: -0.762 local terms energy: -65.109015 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -16.050 flat angles C4'-P-C4' energy: -15.314 flat angles P-C4'-P energy: -11.161 tors. eta vs tors. theta energy: -8.610 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: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -175.047288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.047288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.047288 (E_RNA) where: Base-Base interactions energy: -100.898 where: short stacking energy: -62.867 Base-Backbone interact. energy: -0.018 local terms energy: -74.130845 where: bonds (distance) C4'-P energy: -16.305 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -12.481 tors. eta vs tors. theta energy: -17.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -158.407853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.407853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.407853 (E_RNA) where: Base-Base interactions energy: -99.497 where: short stacking energy: -42.543 Base-Backbone interact. energy: -0.150 local terms energy: -58.760352 where: bonds (distance) C4'-P energy: -8.822 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -10.683 tors. eta vs tors. theta energy: -11.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -157.180934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.180934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.180934 (E_RNA) where: Base-Base interactions energy: -106.441 where: short stacking energy: -44.363 Base-Backbone interact. energy: -0.098 local terms energy: -50.641474 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: -10.835 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -144.073770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.073770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.073770 (E_RNA) where: Base-Base interactions energy: -89.849 where: short stacking energy: -47.623 Base-Backbone interact. energy: -0.247 local terms energy: -53.978107 where: bonds (distance) C4'-P energy: -10.381 bonds (distance) P-C4' energy: -9.905 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -10.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -158.172137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.172137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.172137 (E_RNA) where: Base-Base interactions energy: -91.636 where: short stacking energy: -44.353 Base-Backbone interact. energy: -0.117 local terms energy: -66.418675 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -15.505 flat angles P-C4'-P energy: -11.819 tors. eta vs tors. theta energy: -11.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -79.738529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.738529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.738529 (E_RNA) where: Base-Base interactions energy: -24.482 where: short stacking energy: -21.929 Base-Backbone interact. energy: -0.008 local terms energy: -55.248636 where: bonds (distance) C4'-P energy: -15.879 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -3.567 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: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -77.338577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.338577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.338577 (E_RNA) where: Base-Base interactions energy: -34.407 where: short stacking energy: -21.016 Base-Backbone interact. energy: -0.272 local terms energy: -42.660315 where: bonds (distance) C4'-P energy: -7.106 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -12.070 tors. eta vs tors. theta energy: 0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -207.898439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.898439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.898439 (E_RNA) where: Base-Base interactions energy: -135.066 where: short stacking energy: -69.829 Base-Backbone interact. energy: -0.254 local terms energy: -72.578807 where: bonds (distance) C4'-P energy: -16.565 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -19.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -184.105318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.105318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.105318 (E_RNA) where: Base-Base interactions energy: -113.725 where: short stacking energy: -68.628 Base-Backbone interact. energy: -0.014 local terms energy: -70.366001 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -16.926 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -10.808 tors. eta vs tors. theta energy: -18.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -162.224922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.224922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.224922 (E_RNA) where: Base-Base interactions energy: -85.565 where: short stacking energy: -43.843 Base-Backbone interact. energy: -0.469 local terms energy: -76.191603 where: bonds (distance) C4'-P energy: -17.989 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -17.585 flat angles P-C4'-P energy: -13.268 tors. eta vs tors. theta energy: -11.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -172.680941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.680941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.680941 (E_RNA) where: Base-Base interactions energy: -97.123 where: short stacking energy: -57.713 Base-Backbone interact. energy: -0.217 local terms energy: -75.341566 where: bonds (distance) C4'-P energy: -17.187 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: -15.263 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: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -168.579811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.579811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.579811 (E_RNA) where: Base-Base interactions energy: -105.735 where: short stacking energy: -51.891 Base-Backbone interact. energy: -0.590 local terms energy: -62.255096 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -11.759 tors. eta vs tors. theta energy: -9.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -154.365019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.365019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.365019 (E_RNA) where: Base-Base interactions energy: -97.426 where: short stacking energy: -47.630 Base-Backbone interact. energy: -0.030 local terms energy: -56.908672 where: bonds (distance) C4'-P energy: -14.308 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -11.099 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -9.989 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: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -146.075465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.075465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.075465 (E_RNA) where: Base-Base interactions energy: -91.703 where: short stacking energy: -39.710 Base-Backbone interact. energy: 0.485 local terms energy: -54.857134 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -16.718 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -3.276 tors. eta vs tors. theta energy: -6.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -142.141575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.141575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.141575 (E_RNA) where: Base-Base interactions energy: -85.133 where: short stacking energy: -38.995 Base-Backbone interact. energy: -0.344 local terms energy: -56.664844 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -10.993 flat angles C4'-P-C4' energy: -17.354 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -80.380168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.380168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.380168 (E_RNA) where: Base-Base interactions energy: -33.030 where: short stacking energy: -21.601 Base-Backbone interact. energy: -0.378 local terms energy: -46.972197 where: bonds (distance) C4'-P energy: -14.104 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -0.988 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: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -89.980300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.980300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.980300 (E_RNA) where: Base-Base interactions energy: -35.892 where: short stacking energy: -35.735 Base-Backbone interact. energy: -0.078 local terms energy: -54.010132 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -6.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -218.420207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.420207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.420207 (E_RNA) where: Base-Base interactions energy: -137.623 where: short stacking energy: -74.637 Base-Backbone interact. energy: -0.117 local terms energy: -80.680057 where: bonds (distance) C4'-P energy: -18.135 bonds (distance) P-C4' energy: -16.102 flat angles C4'-P-C4' energy: -15.201 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -20.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -186.164726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.164726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.164726 (E_RNA) where: Base-Base interactions energy: -114.281 where: short stacking energy: -67.013 Base-Backbone interact. energy: -0.051 local terms energy: -71.833353 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -10.179 tors. eta vs tors. theta energy: -17.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -188.393282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.393282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.393282 (E_RNA) where: Base-Base interactions energy: -124.540 where: short stacking energy: -60.481 Base-Backbone interact. energy: -0.084 local terms energy: -63.769888 where: bonds (distance) C4'-P energy: -10.413 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -15.544 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -15.555 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: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -172.419694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.419694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.419694 (E_RNA) where: Base-Base interactions energy: -102.459 where: short stacking energy: -56.805 Base-Backbone interact. energy: 0.769 local terms energy: -70.729244 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -18.053 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -12.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -162.124810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.124810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.124810 (E_RNA) where: Base-Base interactions energy: -94.523 where: short stacking energy: -54.314 Base-Backbone interact. energy: -0.043 local terms energy: -67.558544 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -12.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -167.446117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.446117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.446117 (E_RNA) where: Base-Base interactions energy: -110.728 where: short stacking energy: -49.344 Base-Backbone interact. energy: -0.253 local terms energy: -56.464377 where: bonds (distance) C4'-P energy: -9.383 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -11.575 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: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -179.987145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.987145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.987145 (E_RNA) where: Base-Base interactions energy: -109.788 where: short stacking energy: -51.285 Base-Backbone interact. energy: -0.363 local terms energy: -69.836670 where: bonds (distance) C4'-P energy: -16.086 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -13.005 tors. eta vs tors. theta energy: -8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -132.980479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.980479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.980479 (E_RNA) where: Base-Base interactions energy: -87.040 where: short stacking energy: -34.804 Base-Backbone interact. energy: -0.236 local terms energy: -45.704739 where: bonds (distance) C4'-P energy: -10.501 bonds (distance) P-C4' energy: -16.644 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -134.561500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.561500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.561500 (E_RNA) where: Base-Base interactions energy: -79.371 where: short stacking energy: -40.472 Base-Backbone interact. energy: -0.105 local terms energy: -55.085727 where: bonds (distance) C4'-P energy: -8.543 bonds (distance) P-C4' energy: -16.945 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -8.175 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: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -72.293973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.293973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.293973 (E_RNA) where: Base-Base interactions energy: -20.357 where: short stacking energy: -20.357 Base-Backbone interact. energy: -0.074 local terms energy: -51.862690 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: 4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -207.108978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.108978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.108978 (E_RNA) where: Base-Base interactions energy: -128.200 where: short stacking energy: -66.090 Base-Backbone interact. energy: -0.525 local terms energy: -78.384615 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -16.230 flat angles C4'-P-C4' energy: -16.578 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -18.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -180.283982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.283982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.283982 (E_RNA) where: Base-Base interactions energy: -109.518 where: short stacking energy: -64.885 Base-Backbone interact. energy: -0.011 local terms energy: -70.755606 where: bonds (distance) C4'-P energy: -17.609 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -17.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -170.044505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.044505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.044505 (E_RNA) where: Base-Base interactions energy: -110.262 where: short stacking energy: -49.663 Base-Backbone interact. energy: -0.610 local terms energy: -59.171932 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -16.925 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -7.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -168.283873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.283873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.283873 (E_RNA) where: Base-Base interactions energy: -101.859 where: short stacking energy: -57.479 Base-Backbone interact. energy: -0.015 local terms energy: -66.410102 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -15.676 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -13.577 tors. eta vs tors. theta energy: -16.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -149.308473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.308473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.308473 (E_RNA) where: Base-Base interactions energy: -90.727 where: short stacking energy: -44.640 Base-Backbone interact. energy: -0.407 local terms energy: -58.174522 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -9.015 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -12.853 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: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -154.911877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.911877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.911877 (E_RNA) where: Base-Base interactions energy: -95.389 where: short stacking energy: -56.338 Base-Backbone interact. energy: 0.641 local terms energy: -60.164397 where: bonds (distance) C4'-P energy: -8.691 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: -13.616 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: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -158.321578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.321578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.321578 (E_RNA) where: Base-Base interactions energy: -95.261 where: short stacking energy: -57.960 Base-Backbone interact. energy: 0.095 local terms energy: -63.156095 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -15.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -146.013135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.013135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.013135 (E_RNA) where: Base-Base interactions energy: -87.432 where: short stacking energy: -46.793 Base-Backbone interact. energy: -0.127 local terms energy: -58.454938 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -12.310 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -11.205 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -148.593711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.593711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.593711 (E_RNA) where: Base-Base interactions energy: -82.845 where: short stacking energy: -43.428 Base-Backbone interact. energy: -0.213 local terms energy: -65.536498 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -17.509 flat angles C4'-P-C4' energy: -15.699 flat angles P-C4'-P energy: -12.661 tors. eta vs tors. theta energy: -7.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -79.233758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.233758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.233758 (E_RNA) where: Base-Base interactions energy: -38.949 where: short stacking energy: -16.539 Base-Backbone interact. energy: -0.575 local terms energy: -39.709561 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: 3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -205.076419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.076419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.076419 (E_RNA) where: Base-Base interactions energy: -132.350 where: short stacking energy: -68.046 Base-Backbone interact. energy: -0.410 local terms energy: -72.317003 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -17.486 flat angles P-C4'-P energy: -12.768 tors. eta vs tors. theta energy: -17.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -189.055362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.055362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.055362 (E_RNA) where: Base-Base interactions energy: -112.545 where: short stacking energy: -65.634 Base-Backbone interact. energy: -0.015 local terms energy: -76.495241 where: bonds (distance) C4'-P energy: -16.048 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -17.412 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -16.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -165.892494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.892494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.892494 (E_RNA) where: Base-Base interactions energy: -99.020 where: short stacking energy: -60.132 Base-Backbone interact. energy: -0.887 local terms energy: -65.985441 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -16.322 flat angles C4'-P-C4' energy: -16.411 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -13.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -183.671919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.671919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.671919 (E_RNA) where: Base-Base interactions energy: -110.917 where: short stacking energy: -68.237 Base-Backbone interact. energy: -0.006 local terms energy: -72.749045 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -15.608 flat angles P-C4'-P energy: -12.436 tors. eta vs tors. theta energy: -16.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -155.672355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.672355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.672355 (E_RNA) where: Base-Base interactions energy: -99.611 where: short stacking energy: -42.653 Base-Backbone interact. energy: -0.351 local terms energy: -55.710508 where: bonds (distance) C4'-P energy: -16.500 bonds (distance) P-C4' energy: -13.146 flat angles C4'-P-C4' energy: -10.810 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -144.302079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.302079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.302079 (E_RNA) where: Base-Base interactions energy: -84.636 where: short stacking energy: -44.753 Base-Backbone interact. energy: -0.103 local terms energy: -59.563435 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -11.450 tors. eta vs tors. theta energy: -10.438 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: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -148.320066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.320066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.320066 (E_RNA) where: Base-Base interactions energy: -92.834 where: short stacking energy: -43.716 Base-Backbone interact. energy: -0.470 local terms energy: -55.015174 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -10.153 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -148.701060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.701060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.701060 (E_RNA) where: Base-Base interactions energy: -93.588 where: short stacking energy: -45.753 Base-Backbone interact. energy: -0.055 local terms energy: -55.058038 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -9.979 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: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -148.063993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.063993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.063993 (E_RNA) where: Base-Base interactions energy: -93.665 where: short stacking energy: -54.008 Base-Backbone interact. energy: 0.168 local terms energy: -54.567491 where: bonds (distance) C4'-P energy: -6.977 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -11.736 flat angles P-C4'-P energy: -12.089 tors. eta vs tors. theta energy: -9.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -75.488989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.488989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.488989 (E_RNA) where: Base-Base interactions energy: -29.330 where: short stacking energy: -27.668 Base-Backbone interact. energy: -0.034 local terms energy: -46.125715 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -15.811 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: 0.335 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: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -212.335654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.335654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.335654 (E_RNA) where: Base-Base interactions energy: -133.784 where: short stacking energy: -71.980 Base-Backbone interact. energy: 0.533 local terms energy: -79.084083 where: bonds (distance) C4'-P energy: -16.010 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -16.427 flat angles P-C4'-P energy: -13.774 tors. eta vs tors. theta energy: -19.014 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: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -179.057609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.057609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.057609 (E_RNA) where: Base-Base interactions energy: -112.119 where: short stacking energy: -55.982 Base-Backbone interact. energy: -0.308 local terms energy: -66.631139 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -17.001 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -10.787 tors. eta vs tors. theta energy: -11.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -171.757757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.757757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.757757 (E_RNA) where: Base-Base interactions energy: -101.615 where: short stacking energy: -54.051 Base-Backbone interact. energy: -0.109 local terms energy: -70.033896 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -15.413 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -12.121 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -177.722448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.722448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.722448 (E_RNA) where: Base-Base interactions energy: -106.066 where: short stacking energy: -57.389 Base-Backbone interact. energy: -0.001 local terms energy: -71.655189 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -17.133 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -12.750 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: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -159.264215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.264215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.264215 (E_RNA) where: Base-Base interactions energy: -95.084 where: short stacking energy: -56.985 Base-Backbone interact. energy: -0.007 local terms energy: -64.172618 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -13.081 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: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -167.794697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.794697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.794697 (E_RNA) where: Base-Base interactions energy: -103.627 where: short stacking energy: -40.022 Base-Backbone interact. energy: -0.205 local terms energy: -63.962079 where: bonds (distance) C4'-P energy: -15.399 bonds (distance) P-C4' energy: -16.797 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -9.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -150.654969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.654969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.654969 (E_RNA) where: Base-Base interactions energy: -97.421 where: short stacking energy: -48.732 Base-Backbone interact. energy: -0.032 local terms energy: -53.202458 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -9.534 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -10.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -146.871965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.871965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.871965 (E_RNA) where: Base-Base interactions energy: -82.294 where: short stacking energy: -40.472 Base-Backbone interact. energy: -0.111 local terms energy: -64.466852 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -16.507 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -9.045 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: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -146.605279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.605279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.605279 (E_RNA) where: Base-Base interactions energy: -91.542 where: short stacking energy: -51.505 Base-Backbone interact. energy: 0.602 local terms energy: -55.665535 where: bonds (distance) C4'-P energy: -8.953 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -10.808 tors. eta vs tors. theta energy: -12.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -73.787929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.787929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.787929 (E_RNA) where: Base-Base interactions energy: -30.284 where: short stacking energy: -22.957 Base-Backbone interact. energy: -0.491 local terms energy: -43.013618 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -11.699 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: 1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -217.558989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.558989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.558989 (E_RNA) where: Base-Base interactions energy: -150.192 where: short stacking energy: -70.413 Base-Backbone interact. energy: -0.069 local terms energy: -67.298444 where: bonds (distance) C4'-P energy: -10.301 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -17.218 flat angles P-C4'-P energy: -10.870 tors. eta vs tors. theta energy: -14.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -177.749208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.749208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.749208 (E_RNA) where: Base-Base interactions energy: -110.736 where: short stacking energy: -52.644 Base-Backbone interact. energy: -0.511 local terms energy: -66.501813 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -17.226 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -12.792 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: 9 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -169.007231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.007231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.007231 (E_RNA) where: Base-Base interactions energy: -104.061 where: short stacking energy: -61.174 Base-Backbone interact. energy: -0.864 local terms energy: -64.082180 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -9.079 flat angles P-C4'-P energy: -12.797 tors. eta vs tors. theta energy: -15.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -165.437534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.437534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.437534 (E_RNA) where: Base-Base interactions energy: -97.894 where: short stacking energy: -47.384 Base-Backbone interact. energy: -0.356 local terms energy: -67.187887 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -11.568 tors. eta vs tors. theta energy: -10.328 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: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -164.270541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.270541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.270541 (E_RNA) where: Base-Base interactions energy: -101.940 where: short stacking energy: -51.412 Base-Backbone interact. energy: -0.058 local terms energy: -62.272363 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -13.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -162.487642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.487642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.487642 (E_RNA) where: Base-Base interactions energy: -103.239 where: short stacking energy: -58.554 Base-Backbone interact. energy: -0.160 local terms energy: -59.088658 where: bonds (distance) C4'-P energy: -15.270 bonds (distance) P-C4' energy: -10.503 flat angles C4'-P-C4' energy: -16.481 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -11.611 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: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -154.383826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.383826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.383826 (E_RNA) where: Base-Base interactions energy: -95.983 where: short stacking energy: -50.744 Base-Backbone interact. energy: -0.051 local terms energy: -58.349498 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -16.078 flat angles C4'-P-C4' energy: -10.716 flat angles P-C4'-P energy: -9.200 tors. eta vs tors. theta energy: -11.905 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: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -147.427689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.427689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.427689 (E_RNA) where: Base-Base interactions energy: -90.774 where: short stacking energy: -33.981 Base-Backbone interact. energy: 0.260 local terms energy: -56.914071 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -152.061727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.061727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.061727 (E_RNA) where: Base-Base interactions energy: -96.380 where: short stacking energy: -55.277 Base-Backbone interact. energy: -0.021 local terms energy: -55.661021 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -11.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -80.156695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.156695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.156695 (E_RNA) where: Base-Base interactions energy: -32.990 where: short stacking energy: -32.990 Base-Backbone interact. energy: -0.009 local terms energy: -47.157466 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -188.327144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.327144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.327144 (E_RNA) where: Base-Base interactions energy: -114.380 where: short stacking energy: -69.602 Base-Backbone interact. energy: -0.119 local terms energy: -73.828358 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -17.010 flat angles C4'-P-C4' energy: -14.925 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -16.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -185.341001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.341001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.341001 (E_RNA) where: Base-Base interactions energy: -116.247 where: short stacking energy: -61.808 Base-Backbone interact. energy: -0.930 local terms energy: -68.163899 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -14.840 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -14.173 tors. eta vs tors. theta energy: -12.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -186.085648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.085648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.085648 (E_RNA) where: Base-Base interactions energy: -111.848 where: short stacking energy: -57.139 Base-Backbone interact. energy: -0.194 local terms energy: -74.043603 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -16.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -167.187767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.187767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.187767 (E_RNA) where: Base-Base interactions energy: -100.264 where: short stacking energy: -52.351 Base-Backbone interact. energy: -0.369 local terms energy: -66.555068 where: bonds (distance) C4'-P energy: -15.808 bonds (distance) P-C4' energy: -10.163 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -13.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -166.497741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.497741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.497741 (E_RNA) where: Base-Base interactions energy: -99.798 where: short stacking energy: -56.295 Base-Backbone interact. energy: 0.893 local terms energy: -67.592878 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -16.491 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -10.701 tors. eta vs tors. theta energy: -10.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -143.558642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.558642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.558642 (E_RNA) where: Base-Base interactions energy: -84.551 where: short stacking energy: -36.848 Base-Backbone interact. energy: -0.040 local terms energy: -58.968135 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -17.357 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -6.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -147.809629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.809629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.809629 (E_RNA) where: Base-Base interactions energy: -89.630 where: short stacking energy: -46.970 Base-Backbone interact. energy: -0.385 local terms energy: -57.793874 where: bonds (distance) C4'-P energy: -15.522 bonds (distance) P-C4' energy: -12.841 flat angles C4'-P-C4' energy: -10.329 flat angles P-C4'-P energy: -12.001 tors. eta vs tors. theta energy: -7.100 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: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -148.327544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.327544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.327544 (E_RNA) where: Base-Base interactions energy: -83.674 where: short stacking energy: -43.847 Base-Backbone interact. energy: -0.671 local terms energy: -63.982534 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -8.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -86.062839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.062839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.062839 (E_RNA) where: Base-Base interactions energy: -30.575 where: short stacking energy: -30.575 Base-Backbone interact. energy: -0.053 local terms energy: -55.434435 where: bonds (distance) C4'-P energy: -9.262 bonds (distance) P-C4' energy: -15.382 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -12.494 tors. eta vs tors. theta energy: -7.207 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: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -134.745721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.745721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.745721 (E_RNA) where: Base-Base interactions energy: -79.056 where: short stacking energy: -31.051 Base-Backbone interact. energy: -0.109 local terms energy: -55.580377 where: bonds (distance) C4'-P energy: -14.169 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -9.748 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -186.809754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.809754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.809754 (E_RNA) where: Base-Base interactions energy: -111.875 where: short stacking energy: -66.330 Base-Backbone interact. energy: 0.371 local terms energy: -75.305946 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -14.836 flat angles P-C4'-P energy: -12.639 tors. eta vs tors. theta energy: -17.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -184.073125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.073125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.073125 (E_RNA) where: Base-Base interactions energy: -107.528 where: short stacking energy: -63.859 Base-Backbone interact. energy: -0.009 local terms energy: -76.535967 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -17.957 flat angles C4'-P-C4' energy: -16.715 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -18.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -167.814502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.814502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.814502 (E_RNA) where: Base-Base interactions energy: -100.099 where: short stacking energy: -53.910 Base-Backbone interact. energy: -0.843 local terms energy: -66.873007 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -17.771 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -167.706578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.706578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.706578 (E_RNA) where: Base-Base interactions energy: -109.340 where: short stacking energy: -68.316 Base-Backbone interact. energy: -0.104 local terms energy: -58.262064 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -6.949 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -13.089 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: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -181.992435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.992435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.992435 (E_RNA) where: Base-Base interactions energy: -107.584 where: short stacking energy: -60.110 Base-Backbone interact. energy: -0.308 local terms energy: -74.100273 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -13.266 tors. eta vs tors. theta energy: -18.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -142.666636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.666636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.666636 (E_RNA) where: Base-Base interactions energy: -80.285 where: short stacking energy: -37.176 Base-Backbone interact. energy: -0.647 local terms energy: -61.734169 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -151.986963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.986963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.986963 (E_RNA) where: Base-Base interactions energy: -89.791 where: short stacking energy: -46.842 Base-Backbone interact. energy: -0.095 local terms energy: -62.100567 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -10.696 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: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -139.911931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.911931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.911931 (E_RNA) where: Base-Base interactions energy: -85.160 where: short stacking energy: -44.328 Base-Backbone interact. energy: -0.426 local terms energy: -54.326556 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -10.401 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -10.557 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: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -100.540614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.540614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.540614 (E_RNA) where: Base-Base interactions energy: -52.058 where: short stacking energy: -36.155 Base-Backbone interact. energy: -0.147 local terms energy: -48.335284 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -100.744377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.744377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.744377 (E_RNA) where: Base-Base interactions energy: -54.532 where: short stacking energy: -25.284 Base-Backbone interact. energy: 0.584 local terms energy: -46.796387 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -15.698 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -185.469409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.469409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.469409 (E_RNA) where: Base-Base interactions energy: -112.426 where: short stacking energy: -65.575 Base-Backbone interact. energy: -0.015 local terms energy: -73.028075 where: bonds (distance) C4'-P energy: -16.193 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -16.283 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -14.137 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: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -183.732984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.732984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.732984 (E_RNA) where: Base-Base interactions energy: -109.147 where: short stacking energy: -59.238 Base-Backbone interact. energy: -0.082 local terms energy: -74.504471 where: bonds (distance) C4'-P energy: -16.016 bonds (distance) P-C4' energy: -16.296 flat angles C4'-P-C4' energy: -16.797 flat angles P-C4'-P energy: -10.679 tors. eta vs tors. theta energy: -14.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -164.415450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.415450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.415450 (E_RNA) where: Base-Base interactions energy: -98.334 where: short stacking energy: -45.023 Base-Backbone interact. energy: -0.254 local terms energy: -65.827652 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -9.518 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: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -158.805364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.805364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.805364 (E_RNA) where: Base-Base interactions energy: -91.790 where: short stacking energy: -52.589 Base-Backbone interact. energy: -0.388 local terms energy: -66.627638 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -11.325 tors. eta vs tors. theta energy: -12.334 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: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -192.518098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.518098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.518098 (E_RNA) where: Base-Base interactions energy: -128.004 where: short stacking energy: -59.460 Base-Backbone interact. energy: -0.254 local terms energy: -64.260329 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -17.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -150.474987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.474987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.474987 (E_RNA) where: Base-Base interactions energy: -86.641 where: short stacking energy: -43.494 Base-Backbone interact. energy: -0.136 local terms energy: -63.698857 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -13.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -154.167098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.167098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.167098 (E_RNA) where: Base-Base interactions energy: -95.235 where: short stacking energy: -50.347 Base-Backbone interact. energy: -0.005 local terms energy: -58.926584 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -10.516 flat angles P-C4'-P energy: -12.447 tors. eta vs tors. theta energy: -14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -156.897675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.897675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.897675 (E_RNA) where: Base-Base interactions energy: -94.641 where: short stacking energy: -53.126 Base-Backbone interact. energy: -0.170 local terms energy: -62.086496 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -15.644 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -11.301 tors. eta vs tors. theta energy: -8.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -83.298069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.298069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.298069 (E_RNA) where: Base-Base interactions energy: -30.797 where: short stacking energy: -28.369 Base-Backbone interact. energy: -0.296 local terms energy: -52.205194 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -17.623 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: 0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -101.152359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.152359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.152359 (E_RNA) where: Base-Base interactions energy: -46.050 where: short stacking energy: -34.773 Base-Backbone interact. energy: -0.090 local terms energy: -55.013125 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -182.190556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.190556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.190556 (E_RNA) where: Base-Base interactions energy: -112.227 where: short stacking energy: -47.887 Base-Backbone interact. energy: -0.079 local terms energy: -69.884453 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -18.468 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -12.304 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: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -180.473198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.473198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.473198 (E_RNA) where: Base-Base interactions energy: -109.299 where: short stacking energy: -63.175 Base-Backbone interact. energy: -0.106 local terms energy: -71.068354 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -15.145 flat angles C4'-P-C4' energy: -16.954 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -14.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -173.229772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.229772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.229772 (E_RNA) where: Base-Base interactions energy: -107.343 where: short stacking energy: -59.424 Base-Backbone interact. energy: 0.324 local terms energy: -66.210566 where: bonds (distance) C4'-P energy: -15.205 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -14.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -180.512697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.512697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.512697 (E_RNA) where: Base-Base interactions energy: -120.771 where: short stacking energy: -48.195 Base-Backbone interact. energy: -0.232 local terms energy: -59.509256 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -153.930970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.930970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.930970 (E_RNA) where: Base-Base interactions energy: -90.683 where: short stacking energy: -45.346 Base-Backbone interact. energy: -0.252 local terms energy: -62.995920 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -16.759 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -10.887 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -156.831322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.831322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.831322 (E_RNA) where: Base-Base interactions energy: -94.022 where: short stacking energy: -48.658 Base-Backbone interact. energy: -0.054 local terms energy: -62.755227 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -10.102 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -12.241 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: 75 Temperature: 1.200000 Total energy: -144.507741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.507741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.507741 (E_RNA) where: Base-Base interactions energy: -78.784 where: short stacking energy: -38.389 Base-Backbone interact. energy: -0.202 local terms energy: -65.521052 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -16.600 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -9.542 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: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -137.168549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.168549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.168549 (E_RNA) where: Base-Base interactions energy: -82.830 where: short stacking energy: -35.145 Base-Backbone interact. energy: -0.203 local terms energy: -54.135752 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -9.087 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -7.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -89.094707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.094707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.094707 (E_RNA) where: Base-Base interactions energy: -57.172 where: short stacking energy: -28.112 Base-Backbone interact. energy: -0.847 local terms energy: -31.076415 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -7.693 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: 1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -76.292450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.292450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.292450 (E_RNA) where: Base-Base interactions energy: -28.272 where: short stacking energy: -28.208 Base-Backbone interact. energy: -0.232 local terms energy: -47.788631 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -17.531 flat angles C4'-P-C4' energy: -9.369 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -5.006 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: 76 Temperature: 0.900000 Total energy: -185.951801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.951801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.951801 (E_RNA) where: Base-Base interactions energy: -107.691 where: short stacking energy: -64.051 Base-Backbone interact. energy: -0.052 local terms energy: -78.209230 where: bonds (distance) C4'-P energy: -16.914 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -17.731 flat angles P-C4'-P energy: -10.516 tors. eta vs tors. theta energy: -16.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -176.917402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.917402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.917402 (E_RNA) where: Base-Base interactions energy: -105.862 where: short stacking energy: -58.694 Base-Backbone interact. energy: -0.145 local terms energy: -70.909990 where: bonds (distance) C4'-P energy: -16.137 bonds (distance) P-C4' energy: -14.827 flat angles C4'-P-C4' energy: -15.500 flat angles P-C4'-P energy: -12.216 tors. eta vs tors. theta energy: -12.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -180.805283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.805283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.805283 (E_RNA) where: Base-Base interactions energy: -112.265 where: short stacking energy: -58.215 Base-Backbone interact. energy: -0.100 local terms energy: -68.440240 where: bonds (distance) C4'-P energy: -15.100 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -13.745 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -14.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -163.086311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.086311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.086311 (E_RNA) where: Base-Base interactions energy: -94.388 where: short stacking energy: -53.520 Base-Backbone interact. energy: -0.016 local terms energy: -68.682777 where: bonds (distance) C4'-P energy: -14.943 bonds (distance) P-C4' energy: -14.918 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -13.061 tors. eta vs tors. theta energy: -12.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -167.356873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.356873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.356873 (E_RNA) where: Base-Base interactions energy: -97.441 where: short stacking energy: -57.544 Base-Backbone interact. energy: -0.004 local terms energy: -69.911636 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -12.659 tors. eta vs tors. theta energy: -13.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -149.925419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.925419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.925419 (E_RNA) where: Base-Base interactions energy: -89.804 where: short stacking energy: -42.746 Base-Backbone interact. energy: 1.333 local terms energy: -61.453841 where: bonds (distance) C4'-P energy: -16.289 bonds (distance) P-C4' energy: -16.148 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -7.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -151.264119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.264119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.264119 (E_RNA) where: Base-Base interactions energy: -93.801 where: short stacking energy: -53.379 Base-Backbone interact. energy: -0.486 local terms energy: -56.977228 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -14.847 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: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -158.855222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.855222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.855222 (E_RNA) where: Base-Base interactions energy: -99.184 where: short stacking energy: -50.898 Base-Backbone interact. energy: -0.291 local terms energy: -59.380028 where: bonds (distance) C4'-P energy: -15.329 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -9.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -79.601005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.601005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.601005 (E_RNA) where: Base-Base interactions energy: -40.732 where: short stacking energy: -25.793 Base-Backbone interact. energy: -0.376 local terms energy: -38.493355 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -87.045315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.045315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.045315 (E_RNA) where: Base-Base interactions energy: -35.863 where: short stacking energy: -30.010 Base-Backbone interact. energy: -0.084 local terms energy: -51.098579 where: bonds (distance) C4'-P energy: -14.883 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -194.174025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.174025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.174025 (E_RNA) where: Base-Base interactions energy: -121.264 where: short stacking energy: -73.881 Base-Backbone interact. energy: -0.036 local terms energy: -72.874366 where: bonds (distance) C4'-P energy: -8.203 bonds (distance) P-C4' energy: -18.182 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -11.617 tors. eta vs tors. theta energy: -18.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -185.127239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.127239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.127239 (E_RNA) where: Base-Base interactions energy: -115.283 where: short stacking energy: -65.626 Base-Backbone interact. energy: -0.005 local terms energy: -69.839372 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -12.711 flat angles C4'-P-C4' energy: -15.345 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -18.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -171.546979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.546979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.546979 (E_RNA) where: Base-Base interactions energy: -108.991 where: short stacking energy: -53.772 Base-Backbone interact. energy: 0.238 local terms energy: -62.794048 where: bonds (distance) C4'-P energy: -17.336 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -11.200 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: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -160.138297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.138297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.138297 (E_RNA) where: Base-Base interactions energy: -95.236 where: short stacking energy: -52.813 Base-Backbone interact. energy: -0.129 local terms energy: -64.773695 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -15.111 flat angles P-C4'-P energy: -10.932 tors. eta vs tors. theta energy: -11.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -158.571123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.571123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.571123 (E_RNA) where: Base-Base interactions energy: -97.538 where: short stacking energy: -42.505 Base-Backbone interact. energy: -0.477 local terms energy: -60.556716 where: bonds (distance) C4'-P energy: -14.790 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -155.484799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.484799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.484799 (E_RNA) where: Base-Base interactions energy: -93.371 where: short stacking energy: -51.838 Base-Backbone interact. energy: -0.007 local terms energy: -62.106277 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -11.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -146.671634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.671634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.671634 (E_RNA) where: Base-Base interactions energy: -92.418 where: short stacking energy: -50.921 Base-Backbone interact. energy: 2.839 local terms energy: -57.093004 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -150.915960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.915960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.915960 (E_RNA) where: Base-Base interactions energy: -87.543 where: short stacking energy: -40.718 Base-Backbone interact. energy: -0.627 local terms energy: -62.745899 where: bonds (distance) C4'-P energy: -9.040 bonds (distance) P-C4' energy: -14.619 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: -12.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -78.337072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.337072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.337072 (E_RNA) where: Base-Base interactions energy: -32.780 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.220 local terms energy: -45.336932 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -87.222465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.222465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.222465 (E_RNA) where: Base-Base interactions energy: -28.414 where: short stacking energy: -27.487 Base-Backbone interact. energy: -0.721 local terms energy: -58.088074 where: bonds (distance) C4'-P energy: -15.482 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -7.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -200.163960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.163960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.163960 (E_RNA) where: Base-Base interactions energy: -121.860 where: short stacking energy: -71.455 Base-Backbone interact. energy: 0.328 local terms energy: -78.632197 where: bonds (distance) C4'-P energy: -15.415 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -16.835 flat angles P-C4'-P energy: -11.830 tors. eta vs tors. theta energy: -19.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -188.100465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.100465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.100465 (E_RNA) where: Base-Base interactions energy: -113.127 where: short stacking energy: -65.776 Base-Backbone interact. energy: -0.048 local terms energy: -74.925754 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -17.738 flat angles C4'-P-C4' energy: -16.332 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -14.453 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: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -179.084426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.084426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.084426 (E_RNA) where: Base-Base interactions energy: -102.701 where: short stacking energy: -58.766 Base-Backbone interact. energy: -0.059 local terms energy: -76.323944 where: bonds (distance) C4'-P energy: -14.887 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -18.164 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -15.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -170.078604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.078604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.078604 (E_RNA) where: Base-Base interactions energy: -98.870 where: short stacking energy: -46.722 Base-Backbone interact. energy: -0.467 local terms energy: -70.741771 where: bonds (distance) C4'-P energy: -16.819 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -12.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -166.057507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.057507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.057507 (E_RNA) where: Base-Base interactions energy: -102.543 where: short stacking energy: -54.666 Base-Backbone interact. energy: -0.116 local terms energy: -63.398612 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -14.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -165.535309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.535309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.535309 (E_RNA) where: Base-Base interactions energy: -105.899 where: short stacking energy: -43.389 Base-Backbone interact. energy: -0.151 local terms energy: -59.484957 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -11.082 flat angles P-C4'-P energy: -10.667 tors. eta vs tors. theta energy: -9.949 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: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -142.832993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.832993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.832993 (E_RNA) where: Base-Base interactions energy: -84.094 where: short stacking energy: -41.847 Base-Backbone interact. energy: -0.262 local terms energy: -58.476950 where: bonds (distance) C4'-P energy: -16.582 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -12.044 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -147.615826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.615826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.615826 (E_RNA) where: Base-Base interactions energy: -88.962 where: short stacking energy: -41.111 Base-Backbone interact. energy: -0.152 local terms energy: -58.501441 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -12.141 tors. eta vs tors. theta energy: -5.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -88.206980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.206980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.206980 (E_RNA) where: Base-Base interactions energy: -37.263 where: short stacking energy: -34.069 Base-Backbone interact. energy: -0.013 local terms energy: -50.931676 where: bonds (distance) C4'-P energy: -8.079 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -7.369 tors. eta vs tors. theta energy: -5.959 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: 3 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -69.796261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.796261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.796261 (E_RNA) where: Base-Base interactions energy: -23.004 where: short stacking energy: -18.952 Base-Backbone interact. energy: -0.168 local terms energy: -46.624697 where: bonds (distance) C4'-P energy: -11.007 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -191.968510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.968510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.968510 (E_RNA) where: Base-Base interactions energy: -122.909 where: short stacking energy: -69.492 Base-Backbone interact. energy: 0.481 local terms energy: -69.540435 where: bonds (distance) C4'-P energy: -14.708 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -13.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -177.068305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.068305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.068305 (E_RNA) where: Base-Base interactions energy: -109.116 where: short stacking energy: -56.844 Base-Backbone interact. energy: 0.237 local terms energy: -68.188882 where: bonds (distance) C4'-P energy: -15.816 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -13.129 tors. eta vs tors. theta energy: -12.853 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: 3, replica: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -189.707717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.707717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.707717 (E_RNA) where: Base-Base interactions energy: -110.950 where: short stacking energy: -69.864 Base-Backbone interact. energy: -0.016 local terms energy: -78.741250 where: bonds (distance) C4'-P energy: -14.923 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -14.728 tors. eta vs tors. theta energy: -21.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -178.309846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.309846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.309846 (E_RNA) where: Base-Base interactions energy: -108.801 where: short stacking energy: -64.218 Base-Backbone interact. energy: -1.475 local terms energy: -68.034692 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -14.028 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: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -163.409595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.409595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.409595 (E_RNA) where: Base-Base interactions energy: -102.736 where: short stacking energy: -51.425 Base-Backbone interact. energy: -0.012 local terms energy: -60.661642 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -14.165 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -12.039 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: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -170.768327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.768327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.768327 (E_RNA) where: Base-Base interactions energy: -109.643 where: short stacking energy: -66.494 Base-Backbone interact. energy: -0.060 local terms energy: -61.064789 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -12.901 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -7.388 tors. eta vs tors. theta energy: -16.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -136.755047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.755047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.755047 (E_RNA) where: Base-Base interactions energy: -80.851 where: short stacking energy: -35.073 Base-Backbone interact. energy: -0.172 local terms energy: -55.731825 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -15.294 flat angles C4'-P-C4' energy: -14.189 flat angles P-C4'-P energy: -11.380 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -137.805720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.805720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.805720 (E_RNA) where: Base-Base interactions energy: -80.883 where: short stacking energy: -37.941 Base-Backbone interact. energy: -0.119 local terms energy: -56.803463 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -9.609 tors. eta vs tors. theta energy: -4.356 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: 79 Temperature: 1.300000 Total energy: -143.736346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.736346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.736346 (E_RNA) where: Base-Base interactions energy: -89.951 where: short stacking energy: -49.194 Base-Backbone interact. energy: -0.119 local terms energy: -53.666643 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -10.359 flat angles C4'-P-C4' energy: -11.856 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -10.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -85.402758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.402758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.402758 (E_RNA) where: Base-Base interactions energy: -31.498 where: short stacking energy: -31.498 Base-Backbone interact. energy: -1.215 local terms energy: -52.690233 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -11.577 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -176.422155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.422155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.422155 (E_RNA) where: Base-Base interactions energy: -106.111 where: short stacking energy: -50.021 Base-Backbone interact. energy: -0.588 local terms energy: -69.722938 where: bonds (distance) C4'-P energy: -14.480 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -12.899 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -195.428032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.428032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.428032 (E_RNA) where: Base-Base interactions energy: -121.121 where: short stacking energy: -76.221 Base-Backbone interact. energy: -0.012 local terms energy: -74.294762 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -14.055 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -13.194 tors. eta vs tors. theta energy: -20.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -185.068867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.068867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.068867 (E_RNA) where: Base-Base interactions energy: -112.945 where: short stacking energy: -62.405 Base-Backbone interact. energy: -0.067 local terms energy: -72.056142 where: bonds (distance) C4'-P energy: -16.077 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -19.964 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: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -174.091093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.091093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.091093 (E_RNA) where: Base-Base interactions energy: -105.016 where: short stacking energy: -59.828 Base-Backbone interact. energy: -0.029 local terms energy: -69.046006 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -17.625 flat angles C4'-P-C4' energy: -17.052 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -14.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -180.692897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.692897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.692897 (E_RNA) where: Base-Base interactions energy: -116.603 where: short stacking energy: -53.865 Base-Backbone interact. energy: -0.079 local terms energy: -64.010850 where: bonds (distance) C4'-P energy: -14.006 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -161.663340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.663340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.663340 (E_RNA) where: Base-Base interactions energy: -88.938 where: short stacking energy: -46.190 Base-Backbone interact. energy: -0.326 local terms energy: -72.399639 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -17.172 flat angles C4'-P-C4' energy: -17.428 flat angles P-C4'-P energy: -12.936 tors. eta vs tors. theta energy: -12.264 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: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -148.273425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.273425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.273425 (E_RNA) where: Base-Base interactions energy: -83.930 where: short stacking energy: -42.855 Base-Backbone interact. energy: -0.209 local terms energy: -64.134069 where: bonds (distance) C4'-P energy: -17.286 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -8.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -162.188991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.188991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.188991 (E_RNA) where: Base-Base interactions energy: -101.154 where: short stacking energy: -43.585 Base-Backbone interact. energy: -0.030 local terms energy: -61.005570 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -17.968 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -8.699 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: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -136.154643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.154643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.154643 (E_RNA) where: Base-Base interactions energy: -79.064 where: short stacking energy: -40.560 Base-Backbone interact. energy: -0.848 local terms energy: -56.242622 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -8.835 tors. eta vs tors. theta energy: -5.545 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: 3 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -82.715619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.715619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.715619 (E_RNA) where: Base-Base interactions energy: -34.201 where: short stacking energy: -32.899 Base-Backbone interact. energy: -0.147 local terms energy: -48.366842 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -185.242487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.242487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.242487 (E_RNA) where: Base-Base interactions energy: -115.508 where: short stacking energy: -71.672 Base-Backbone interact. energy: -0.206 local terms energy: -69.528904 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -17.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -191.523290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.523290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.523290 (E_RNA) where: Base-Base interactions energy: -117.236 where: short stacking energy: -60.865 Base-Backbone interact. energy: -0.237 local terms energy: -74.050475 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -16.916 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -15.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -182.430211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.430211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.430211 (E_RNA) where: Base-Base interactions energy: -114.745 where: short stacking energy: -71.991 Base-Backbone interact. energy: 1.136 local terms energy: -68.820930 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -17.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -173.651192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.651192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.651192 (E_RNA) where: Base-Base interactions energy: -112.258 where: short stacking energy: -57.011 Base-Backbone interact. energy: -0.176 local terms energy: -61.216695 where: bonds (distance) C4'-P energy: -10.298 bonds (distance) P-C4' energy: -10.710 flat angles C4'-P-C4' energy: -16.598 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -16.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -170.146243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.146243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.146243 (E_RNA) where: Base-Base interactions energy: -94.502 where: short stacking energy: -54.909 Base-Backbone interact. energy: 0.086 local terms energy: -75.729998 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -20.397 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: 6, replica: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -150.674331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.674331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.674331 (E_RNA) where: Base-Base interactions energy: -88.269 where: short stacking energy: -43.192 Base-Backbone interact. energy: -0.330 local terms energy: -62.075330 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -9.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -150.037727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.037727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.037727 (E_RNA) where: Base-Base interactions energy: -85.277 where: short stacking energy: -43.409 Base-Backbone interact. energy: -0.109 local terms energy: -64.651548 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -13.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -141.260545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.260545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.260545 (E_RNA) where: Base-Base interactions energy: -83.920 where: short stacking energy: -37.586 Base-Backbone interact. energy: -0.174 local terms energy: -57.166731 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -10.882 flat angles C4'-P-C4' energy: -16.518 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -8.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -138.424626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.424626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.424626 (E_RNA) where: Base-Base interactions energy: -86.449 where: short stacking energy: -41.626 Base-Backbone interact. energy: 0.247 local terms energy: -52.222019 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -11.813 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -7.234 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: 3 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -91.800930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.800930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.800930 (E_RNA) where: Base-Base interactions energy: -43.450 where: short stacking energy: -25.579 Base-Backbone interact. energy: -0.181 local terms energy: -48.170625 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -191.038960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.038960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.038960 (E_RNA) where: Base-Base interactions energy: -116.943 where: short stacking energy: -72.819 Base-Backbone interact. energy: -0.024 local terms energy: -74.071556 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -16.050 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -19.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -182.788388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.788388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.788388 (E_RNA) where: Base-Base interactions energy: -111.316 where: short stacking energy: -70.216 Base-Backbone interact. energy: -0.092 local terms energy: -71.380524 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -17.200 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -12.196 tors. eta vs tors. theta energy: -16.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -172.515533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.515533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.515533 (E_RNA) where: Base-Base interactions energy: -98.519 where: short stacking energy: -59.206 Base-Backbone interact. energy: -0.240 local terms energy: -73.757029 where: bonds (distance) C4'-P energy: -15.699 bonds (distance) P-C4' energy: -17.102 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -11.078 tors. eta vs tors. theta energy: -13.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -168.448886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.448886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.448886 (E_RNA) where: Base-Base interactions energy: -105.580 where: short stacking energy: -51.866 Base-Backbone interact. energy: -0.149 local terms energy: -62.719501 where: bonds (distance) C4'-P energy: -17.141 bonds (distance) P-C4' energy: -14.654 flat angles C4'-P-C4' energy: -11.244 flat angles P-C4'-P energy: -11.334 tors. eta vs tors. theta energy: -8.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -170.945485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.945485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.945485 (E_RNA) where: Base-Base interactions energy: -107.638 where: short stacking energy: -57.086 Base-Backbone interact. energy: -0.068 local terms energy: -63.240113 where: bonds (distance) C4'-P energy: -9.925 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -16.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -155.834614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.834614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.834614 (E_RNA) where: Base-Base interactions energy: -92.061 where: short stacking energy: -45.400 Base-Backbone interact. energy: -0.815 local terms energy: -62.959494 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -10.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -144.738204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.738204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.738204 (E_RNA) where: Base-Base interactions energy: -82.883 where: short stacking energy: -42.741 Base-Backbone interact. energy: -0.184 local terms energy: -61.672072 where: bonds (distance) C4'-P energy: -15.531 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -10.689 tors. eta vs tors. theta energy: -8.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -152.061652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.061652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.061652 (E_RNA) where: Base-Base interactions energy: -92.704 where: short stacking energy: -50.717 Base-Backbone interact. energy: -0.220 local terms energy: -59.138002 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -11.301 tors. eta vs tors. theta energy: -13.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -94.534284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.534284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.534284 (E_RNA) where: Base-Base interactions energy: -47.885 where: short stacking energy: -41.260 Base-Backbone interact. energy: 0.074 local terms energy: -46.722625 where: bonds (distance) C4'-P energy: -8.531 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -9.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -139.961486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.961486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.961486 (E_RNA) where: Base-Base interactions energy: -89.602 where: short stacking energy: -38.266 Base-Backbone interact. energy: -0.196 local terms energy: -50.163871 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -14.323 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -7.299 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -184.807361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.807361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.807361 (E_RNA) where: Base-Base interactions energy: -108.728 where: short stacking energy: -68.555 Base-Backbone interact. energy: -0.341 local terms energy: -75.738293 where: bonds (distance) C4'-P energy: -16.329 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -11.393 tors. eta vs tors. theta energy: -16.292 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: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -178.255799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.255799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.255799 (E_RNA) where: Base-Base interactions energy: -107.301 where: short stacking energy: -64.812 Base-Backbone interact. energy: -0.026 local terms energy: -70.928300 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -16.293 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -14.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -177.782783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.782783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.782783 (E_RNA) where: Base-Base interactions energy: -107.565 where: short stacking energy: -61.739 Base-Backbone interact. energy: -0.125 local terms energy: -70.092856 where: bonds (distance) C4'-P energy: -16.563 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -10.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -173.158017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.158017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.158017 (E_RNA) where: Base-Base interactions energy: -115.318 where: short stacking energy: -55.167 Base-Backbone interact. energy: 0.878 local terms energy: -58.718417 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -15.880 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -12.847 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: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -148.928299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.928299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.928299 (E_RNA) where: Base-Base interactions energy: -88.738 where: short stacking energy: -43.072 Base-Backbone interact. energy: -0.066 local terms energy: -60.124316 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -13.393 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -160.439909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.439909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.439909 (E_RNA) where: Base-Base interactions energy: -93.136 where: short stacking energy: -52.204 Base-Backbone interact. energy: -0.100 local terms energy: -67.204596 where: bonds (distance) C4'-P energy: -12.972 bonds (distance) P-C4' energy: -16.350 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -13.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -165.941735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.941735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.941735 (E_RNA) where: Base-Base interactions energy: -106.715 where: short stacking energy: -50.114 Base-Backbone interact. energy: -0.776 local terms energy: -58.450832 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -144.237130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.237130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.237130 (E_RNA) where: Base-Base interactions energy: -83.082 where: short stacking energy: -43.317 Base-Backbone interact. energy: -0.017 local terms energy: -61.137516 where: bonds (distance) C4'-P energy: -16.488 bonds (distance) P-C4' energy: -16.350 flat angles C4'-P-C4' energy: -11.794 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -6.907 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: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -79.313025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.313025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.313025 (E_RNA) where: Base-Base interactions energy: -31.567 where: short stacking energy: -30.339 Base-Backbone interact. energy: -0.362 local terms energy: -47.384077 where: bonds (distance) C4'-P energy: -7.276 bonds (distance) P-C4' energy: -15.218 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -132.375024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.375024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.375024 (E_RNA) where: Base-Base interactions energy: -92.381 where: short stacking energy: -42.744 Base-Backbone interact. energy: -0.353 local terms energy: -39.640677 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -8.976 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -187.675976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.675976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.675976 (E_RNA) where: Base-Base interactions energy: -112.971 where: short stacking energy: -68.165 Base-Backbone interact. energy: -0.001 local terms energy: -74.703967 where: bonds (distance) C4'-P energy: -16.384 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -14.534 flat angles P-C4'-P energy: -13.836 tors. eta vs tors. theta energy: -15.115 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: 84 Temperature: 0.950000 Total energy: -174.144911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.144911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.144911 (E_RNA) where: Base-Base interactions energy: -100.702 where: short stacking energy: -51.803 Base-Backbone interact. energy: 1.647 local terms energy: -75.089551 where: bonds (distance) C4'-P energy: -17.630 bonds (distance) P-C4' energy: -17.274 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -12.288 tors. eta vs tors. theta energy: -13.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -175.401145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.401145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.401145 (E_RNA) where: Base-Base interactions energy: -100.511 where: short stacking energy: -56.800 Base-Backbone interact. energy: -0.762 local terms energy: -74.127961 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -16.900 flat angles C4'-P-C4' energy: -16.277 flat angles P-C4'-P energy: -11.340 tors. eta vs tors. theta energy: -14.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -167.483272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.483272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.483272 (E_RNA) where: Base-Base interactions energy: -106.731 where: short stacking energy: -51.377 Base-Backbone interact. energy: -0.117 local terms energy: -60.635907 where: bonds (distance) C4'-P energy: -9.286 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -12.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -165.174100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.174100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.174100 (E_RNA) where: Base-Base interactions energy: -101.440 where: short stacking energy: -43.943 Base-Backbone interact. energy: -0.008 local terms energy: -63.725942 where: bonds (distance) C4'-P energy: -15.945 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -11.213 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -165.193518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.193518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.193518 (E_RNA) where: Base-Base interactions energy: -103.146 where: short stacking energy: -60.241 Base-Backbone interact. energy: -0.063 local terms energy: -61.984457 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -9.816 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -14.827 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: 1 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -142.618149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.618149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.618149 (E_RNA) where: Base-Base interactions energy: -82.367 where: short stacking energy: -36.913 Base-Backbone interact. energy: -0.141 local terms energy: -60.110144 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -17.295 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -7.469 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -154.609234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.609234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.609234 (E_RNA) where: Base-Base interactions energy: -90.715 where: short stacking energy: -43.035 Base-Backbone interact. energy: 0.851 local terms energy: -64.745121 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -12.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -130.485222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.485222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.485222 (E_RNA) where: Base-Base interactions energy: -82.944 where: short stacking energy: -40.637 Base-Backbone interact. energy: 0.328 local terms energy: -47.869280 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -5.552 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: 3 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -82.635022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.635022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.635022 (E_RNA) where: Base-Base interactions energy: -35.792 where: short stacking energy: -30.388 Base-Backbone interact. energy: -0.327 local terms energy: -46.516491 where: bonds (distance) C4'-P energy: -15.615 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -189.987593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.987593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.987593 (E_RNA) where: Base-Base interactions energy: -113.474 where: short stacking energy: -62.825 Base-Backbone interact. energy: -0.002 local terms energy: -76.511100 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -17.693 flat angles P-C4'-P energy: -12.403 tors. eta vs tors. theta energy: -17.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -187.095503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.095503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.095503 (E_RNA) where: Base-Base interactions energy: -112.684 where: short stacking energy: -71.495 Base-Backbone interact. energy: -0.074 local terms energy: -74.337309 where: bonds (distance) C4'-P energy: -16.617 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -11.982 tors. eta vs tors. theta energy: -18.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -172.302607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.302607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.302607 (E_RNA) where: Base-Base interactions energy: -107.730 where: short stacking energy: -59.120 Base-Backbone interact. energy: 0.454 local terms energy: -65.026263 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -11.943 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -176.592611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.592611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.592611 (E_RNA) where: Base-Base interactions energy: -109.537 where: short stacking energy: -59.024 Base-Backbone interact. energy: -0.002 local terms energy: -67.052877 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -12.671 tors. eta vs tors. theta energy: -14.021 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: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -166.841504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.841504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.841504 (E_RNA) where: Base-Base interactions energy: -102.211 where: short stacking energy: -54.816 Base-Backbone interact. energy: -0.207 local terms energy: -64.422816 where: bonds (distance) C4'-P energy: -16.947 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -11.829 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -13.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -157.510716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.510716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.510716 (E_RNA) where: Base-Base interactions energy: -91.456 where: short stacking energy: -43.816 Base-Backbone interact. energy: -0.371 local terms energy: -65.684146 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -17.037 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -10.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -153.823221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.823221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.823221 (E_RNA) where: Base-Base interactions energy: -92.899 where: short stacking energy: -54.092 Base-Backbone interact. energy: -0.212 local terms energy: -60.712126 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -12.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -111.501547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.501547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.501547 (E_RNA) where: Base-Base interactions energy: -63.730 where: short stacking energy: -33.736 Base-Backbone interact. energy: -0.523 local terms energy: -47.248575 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -132.153715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.153715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.153715 (E_RNA) where: Base-Base interactions energy: -76.259 where: short stacking energy: -32.424 Base-Backbone interact. energy: -0.191 local terms energy: -55.704428 where: bonds (distance) C4'-P energy: -9.634 bonds (distance) P-C4' energy: -16.525 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -79.609411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.609411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.609411 (E_RNA) where: Base-Base interactions energy: -29.344 where: short stacking energy: -14.719 Base-Backbone interact. energy: -0.118 local terms energy: -50.147003 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -211.853349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.853349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.853349 (E_RNA) where: Base-Base interactions energy: -132.943 where: short stacking energy: -63.172 Base-Backbone interact. energy: -0.335 local terms energy: -78.575530 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -17.187 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -19.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -177.662549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.662549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.662549 (E_RNA) where: Base-Base interactions energy: -102.354 where: short stacking energy: -63.705 Base-Backbone interact. energy: -0.061 local terms energy: -75.247589 where: bonds (distance) C4'-P energy: -16.268 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -16.665 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -183.909377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.909377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.909377 (E_RNA) where: Base-Base interactions energy: -108.789 where: short stacking energy: -67.847 Base-Backbone interact. energy: 0.913 local terms energy: -76.032886 where: bonds (distance) C4'-P energy: -14.847 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -15.920 flat angles P-C4'-P energy: -12.769 tors. eta vs tors. theta energy: -18.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -191.530021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.530021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.530021 (E_RNA) where: Base-Base interactions energy: -118.711 where: short stacking energy: -48.443 Base-Backbone interact. energy: -0.003 local terms energy: -72.815585 where: bonds (distance) C4'-P energy: -16.227 bonds (distance) P-C4' energy: -17.936 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -13.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -165.369862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.369862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.369862 (E_RNA) where: Base-Base interactions energy: -95.164 where: short stacking energy: -49.659 Base-Backbone interact. energy: -0.152 local terms energy: -70.054081 where: bonds (distance) C4'-P energy: -18.002 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -9.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -148.576220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.576220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.576220 (E_RNA) where: Base-Base interactions energy: -94.976 where: short stacking energy: -40.908 Base-Backbone interact. energy: -1.024 local terms energy: -52.576057 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -9.759 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -95.769795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.769795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.769795 (E_RNA) where: Base-Base interactions energy: -36.024 where: short stacking energy: -33.585 Base-Backbone interact. energy: 0.560 local terms energy: -60.305845 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -16.274 flat angles P-C4'-P energy: -7.507 tors. eta vs tors. theta energy: -6.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -142.291426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.291426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.291426 (E_RNA) where: Base-Base interactions energy: -88.006 where: short stacking energy: -41.882 Base-Backbone interact. energy: -0.219 local terms energy: -54.066538 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -138.398725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.398725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.398725 (E_RNA) where: Base-Base interactions energy: -81.016 where: short stacking energy: -35.503 Base-Backbone interact. energy: 0.579 local terms energy: -57.962099 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -84.285691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.285691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.285691 (E_RNA) where: Base-Base interactions energy: -30.532 where: short stacking energy: -30.532 Base-Backbone interact. energy: -0.006 local terms energy: -53.748181 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -15.246 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -7.277 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: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -203.015472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.015472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.015472 (E_RNA) where: Base-Base interactions energy: -131.967 where: short stacking energy: -56.520 Base-Backbone interact. energy: -0.066 local terms energy: -70.981639 where: bonds (distance) C4'-P energy: -15.917 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -15.313 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: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -185.360514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.360514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.360514 (E_RNA) where: Base-Base interactions energy: -112.627 where: short stacking energy: -65.900 Base-Backbone interact. energy: -0.043 local terms energy: -72.690807 where: bonds (distance) C4'-P energy: -14.587 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -15.696 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -16.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -170.242597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.242597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.242597 (E_RNA) where: Base-Base interactions energy: -97.729 where: short stacking energy: -49.663 Base-Backbone interact. energy: -0.197 local terms energy: -72.316266 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -18.725 flat angles C4'-P-C4' energy: -15.449 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -14.197 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: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -171.404225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.404225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.404225 (E_RNA) where: Base-Base interactions energy: -106.047 where: short stacking energy: -62.616 Base-Backbone interact. energy: -0.038 local terms energy: -65.319590 where: bonds (distance) C4'-P energy: -15.005 bonds (distance) P-C4' energy: -11.146 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -13.782 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: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -169.671793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.671793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.671793 (E_RNA) where: Base-Base interactions energy: -105.593 where: short stacking energy: -51.118 Base-Backbone interact. energy: -0.723 local terms energy: -63.355988 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -12.558 flat angles C4'-P-C4' energy: -15.651 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -12.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -149.637686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.637686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.637686 (E_RNA) where: Base-Base interactions energy: -92.464 where: short stacking energy: -46.289 Base-Backbone interact. energy: -0.332 local terms energy: -56.841411 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -7.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -91.697578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.697578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.697578 (E_RNA) where: Base-Base interactions energy: -41.044 where: short stacking energy: -30.280 Base-Backbone interact. energy: -0.112 local terms energy: -50.541083 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: 0.970 tors. eta vs tors. theta energy: -10.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -138.354866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.354866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.354866 (E_RNA) where: Base-Base interactions energy: -83.325 where: short stacking energy: -36.635 Base-Backbone interact. energy: -0.189 local terms energy: -54.840805 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -16.875 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -128.946190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.946190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.946190 (E_RNA) where: Base-Base interactions energy: -77.287 where: short stacking energy: -31.631 Base-Backbone interact. energy: -0.475 local terms energy: -51.184735 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -17.376 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: 1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -94.634784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.634784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.634784 (E_RNA) where: Base-Base interactions energy: -43.430 where: short stacking energy: -40.992 Base-Backbone interact. energy: 0.131 local terms energy: -51.336555 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -7.829 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: 6 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -187.781719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.781719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.781719 (E_RNA) where: Base-Base interactions energy: -112.710 where: short stacking energy: -61.934 Base-Backbone interact. energy: -0.559 local terms energy: -74.512086 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -17.473 flat angles C4'-P-C4' energy: -16.499 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -14.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -177.118738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.118738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.118738 (E_RNA) where: Base-Base interactions energy: -108.026 where: short stacking energy: -59.470 Base-Backbone interact. energy: -0.057 local terms energy: -69.035474 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -17.721 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -12.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -181.340930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.340930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.340930 (E_RNA) where: Base-Base interactions energy: -108.238 where: short stacking energy: -64.600 Base-Backbone interact. energy: -0.146 local terms energy: -72.956676 where: bonds (distance) C4'-P energy: -16.814 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: -13.621 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: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -167.539800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.539800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.539800 (E_RNA) where: Base-Base interactions energy: -101.484 where: short stacking energy: -61.376 Base-Backbone interact. energy: 0.803 local terms energy: -66.858801 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -15.314 flat angles P-C4'-P energy: -8.158 tors. eta vs tors. theta energy: -14.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -171.067702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.067702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.067702 (E_RNA) where: Base-Base interactions energy: -102.788 where: short stacking energy: -58.622 Base-Backbone interact. energy: -0.012 local terms energy: -68.267659 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -11.641 flat angles P-C4'-P energy: -11.556 tors. eta vs tors. theta energy: -16.185 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: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -157.953341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.953341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.953341 (E_RNA) where: Base-Base interactions energy: -98.306 where: short stacking energy: -51.931 Base-Backbone interact. energy: -0.169 local terms energy: -59.478948 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -12.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -158.652919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.652919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.652919 (E_RNA) where: Base-Base interactions energy: -86.257 where: short stacking energy: -43.077 Base-Backbone interact. energy: -0.277 local terms energy: -72.118612 where: bonds (distance) C4'-P energy: -15.783 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -12.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -104.225654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.225654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.225654 (E_RNA) where: Base-Base interactions energy: -48.747 where: short stacking energy: -33.184 Base-Backbone interact. energy: -0.062 local terms energy: -55.417085 where: bonds (distance) C4'-P energy: -14.169 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -12.146 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -9.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -137.368727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.368727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.368727 (E_RNA) where: Base-Base interactions energy: -88.000 where: short stacking energy: -43.221 Base-Backbone interact. energy: -0.348 local terms energy: -49.020576 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -15.424 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -5.174 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: 3 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -76.182608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.182608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.182608 (E_RNA) where: Base-Base interactions energy: -28.405 where: short stacking energy: -19.858 Base-Backbone interact. energy: 0.161 local terms energy: -47.938735 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -187.849637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.849637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.849637 (E_RNA) where: Base-Base interactions energy: -108.103 where: short stacking energy: -68.713 Base-Backbone interact. energy: -0.030 local terms energy: -79.716859 where: bonds (distance) C4'-P energy: -16.094 bonds (distance) P-C4' energy: -17.117 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -14.739 tors. eta vs tors. theta energy: -17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -201.341743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.341743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.341743 (E_RNA) where: Base-Base interactions energy: -129.371 where: short stacking energy: -70.119 Base-Backbone interact. energy: -0.559 local terms energy: -71.412262 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -15.248 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -19.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -161.480539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.480539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.480539 (E_RNA) where: Base-Base interactions energy: -105.674 where: short stacking energy: -51.236 Base-Backbone interact. energy: -0.035 local terms energy: -55.771247 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -5.233 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: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -174.836594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.836594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.836594 (E_RNA) where: Base-Base interactions energy: -105.906 where: short stacking energy: -60.510 Base-Backbone interact. energy: -0.011 local terms energy: -68.919764 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -10.672 tors. eta vs tors. theta energy: -17.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -157.304863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.304863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.304863 (E_RNA) where: Base-Base interactions energy: -99.395 where: short stacking energy: -54.961 Base-Backbone interact. energy: -0.316 local terms energy: -57.593121 where: bonds (distance) C4'-P energy: -8.903 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -11.533 tors. eta vs tors. theta energy: -10.524 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: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -147.875355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.875355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.875355 (E_RNA) where: Base-Base interactions energy: -92.071 where: short stacking energy: -43.627 Base-Backbone interact. energy: -0.689 local terms energy: -55.116026 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -146.820686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.820686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.820686 (E_RNA) where: Base-Base interactions energy: -84.786 where: short stacking energy: -40.855 Base-Backbone interact. energy: -0.219 local terms energy: -61.815961 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -16.142 flat angles C4'-P-C4' energy: -17.525 flat angles P-C4'-P energy: -8.647 tors. eta vs tors. theta energy: -8.629 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: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -134.439597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.439597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.439597 (E_RNA) where: Base-Base interactions energy: -77.340 where: short stacking energy: -35.176 Base-Backbone interact. energy: -0.177 local terms energy: -56.922704 where: bonds (distance) C4'-P energy: -15.899 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -84.686263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.686263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.686263 (E_RNA) where: Base-Base interactions energy: -37.605 where: short stacking energy: -37.605 Base-Backbone interact. energy: -0.282 local terms energy: -46.798697 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -92.443025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.443025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.443025 (E_RNA) where: Base-Base interactions energy: -42.999 where: short stacking energy: -42.999 Base-Backbone interact. energy: -0.148 local terms energy: -49.295818 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -11.347 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -12.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -199.485797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.485797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.485797 (E_RNA) where: Base-Base interactions energy: -124.699 where: short stacking energy: -71.344 Base-Backbone interact. energy: -0.045 local terms energy: -74.741947 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -14.673 flat angles C4'-P-C4' energy: -16.619 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -18.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -183.268845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.268845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.268845 (E_RNA) where: Base-Base interactions energy: -113.322 where: short stacking energy: -70.439 Base-Backbone interact. energy: -0.247 local terms energy: -69.699530 where: bonds (distance) C4'-P energy: -15.337 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -15.895 flat angles P-C4'-P energy: -9.056 tors. eta vs tors. theta energy: -16.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -180.940591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.940591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.940591 (E_RNA) where: Base-Base interactions energy: -110.208 where: short stacking energy: -66.549 Base-Backbone interact. energy: -0.114 local terms energy: -70.618964 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -12.637 tors. eta vs tors. theta energy: -17.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -162.170245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.170245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.170245 (E_RNA) where: Base-Base interactions energy: -96.379 where: short stacking energy: -42.964 Base-Backbone interact. energy: -0.489 local terms energy: -65.302439 where: bonds (distance) C4'-P energy: -13.709 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -17.232 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -8.525 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: 5, replica: 4 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -176.429574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.429574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.429574 (E_RNA) where: Base-Base interactions energy: -109.054 where: short stacking energy: -64.326 Base-Backbone interact. energy: -0.160 local terms energy: -67.215594 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -10.645 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -17.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -155.605436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.605436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.605436 (E_RNA) where: Base-Base interactions energy: -88.749 where: short stacking energy: -44.995 Base-Backbone interact. energy: -0.027 local terms energy: -66.829196 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -16.154 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -13.221 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -147.699041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.699041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.699041 (E_RNA) where: Base-Base interactions energy: -92.855 where: short stacking energy: -40.708 Base-Backbone interact. energy: 0.229 local terms energy: -55.072828 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -10.046 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: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -141.034600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.034600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.034600 (E_RNA) where: Base-Base interactions energy: -84.865 where: short stacking energy: -44.176 Base-Backbone interact. energy: 0.376 local terms energy: -56.546104 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -18.074 flat angles P-C4'-P energy: -10.667 tors. eta vs tors. theta energy: -7.263 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: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -78.772338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.772338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.772338 (E_RNA) where: Base-Base interactions energy: -32.897 where: short stacking energy: -30.055 Base-Backbone interact. energy: -0.155 local terms energy: -45.720402 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -83.446540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.446540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.446540 (E_RNA) where: Base-Base interactions energy: -30.375 where: short stacking energy: -29.345 Base-Backbone interact. energy: 0.108 local terms energy: -53.178801 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -2.957 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: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -207.343860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.343860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.343860 (E_RNA) where: Base-Base interactions energy: -128.151 where: short stacking energy: -68.249 Base-Backbone interact. energy: -0.060 local terms energy: -79.132859 where: bonds (distance) C4'-P energy: -16.395 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -14.605 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -20.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -179.202108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.202108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.202108 (E_RNA) where: Base-Base interactions energy: -105.684 where: short stacking energy: -57.176 Base-Backbone interact. energy: 0.102 local terms energy: -73.620342 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -16.718 flat angles C4'-P-C4' energy: -16.151 flat angles P-C4'-P energy: -12.867 tors. eta vs tors. theta energy: -14.500 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: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -181.752527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.752527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.752527 (E_RNA) where: Base-Base interactions energy: -110.519 where: short stacking energy: -66.374 Base-Backbone interact. energy: -0.021 local terms energy: -71.212636 where: bonds (distance) C4'-P energy: -16.839 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -15.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -184.321762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.321762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.321762 (E_RNA) where: Base-Base interactions energy: -111.278 where: short stacking energy: -63.639 Base-Backbone interact. energy: -0.048 local terms energy: -72.996135 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -18.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -164.589335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.589335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.589335 (E_RNA) where: Base-Base interactions energy: -96.632 where: short stacking energy: -57.735 Base-Backbone interact. energy: -0.502 local terms energy: -67.454608 where: bonds (distance) C4'-P energy: -14.152 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -17.272 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -156.279515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.279515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.279515 (E_RNA) where: Base-Base interactions energy: -96.937 where: short stacking energy: -43.409 Base-Backbone interact. energy: 0.689 local terms energy: -60.031536 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -7.961 flat angles C4'-P-C4' energy: -17.543 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -10.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -163.195426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.195426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.195426 (E_RNA) where: Base-Base interactions energy: -97.627 where: short stacking energy: -51.011 Base-Backbone interact. energy: -0.189 local terms energy: -65.379173 where: bonds (distance) C4'-P energy: -9.255 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -11.312 tors. eta vs tors. theta energy: -12.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -151.429569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.429569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.429569 (E_RNA) where: Base-Base interactions energy: -94.506 where: short stacking energy: -50.620 Base-Backbone interact. energy: 1.053 local terms energy: -57.976982 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -12.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -85.647794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.647794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.647794 (E_RNA) where: Base-Base interactions energy: -37.097 where: short stacking energy: -37.097 Base-Backbone interact. energy: -0.175 local terms energy: -48.375962 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -10.503 flat angles C4'-P-C4' energy: -12.923 flat angles P-C4'-P energy: -12.692 tors. eta vs tors. theta energy: -0.593 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: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -91.981712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.981712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.981712 (E_RNA) where: Base-Base interactions energy: -31.065 where: short stacking energy: -28.513 Base-Backbone interact. energy: -0.510 local terms energy: -60.406251 where: bonds (distance) C4'-P energy: -16.246 bonds (distance) P-C4' energy: -16.205 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: -6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -195.749515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.749515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.749515 (E_RNA) where: Base-Base interactions energy: -119.393 where: short stacking energy: -75.578 Base-Backbone interact. energy: -0.012 local terms energy: -76.344014 where: bonds (distance) C4'-P energy: -16.511 bonds (distance) P-C4' energy: -10.615 flat angles C4'-P-C4' energy: -17.069 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -21.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -182.888198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.888198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.888198 (E_RNA) where: Base-Base interactions energy: -117.274 where: short stacking energy: -55.067 Base-Backbone interact. energy: -0.106 local terms energy: -65.508571 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -13.712 flat angles P-C4'-P energy: -13.431 tors. eta vs tors. theta energy: -9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -189.145154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.145154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.145154 (E_RNA) where: Base-Base interactions energy: -122.966 where: short stacking energy: -64.233 Base-Backbone interact. energy: 0.230 local terms energy: -66.408639 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -165.439244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.439244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.439244 (E_RNA) where: Base-Base interactions energy: -104.943 where: short stacking energy: -53.008 Base-Backbone interact. energy: -1.000 local terms energy: -59.496138 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -11.860 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -11.219 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: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -158.368340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.368340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.368340 (E_RNA) where: Base-Base interactions energy: -95.823 where: short stacking energy: -52.117 Base-Backbone interact. energy: -0.177 local terms energy: -62.368207 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -11.118 flat angles P-C4'-P energy: -10.982 tors. eta vs tors. theta energy: -12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -152.723510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.723510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.723510 (E_RNA) where: Base-Base interactions energy: -92.539 where: short stacking energy: -52.731 Base-Backbone interact. energy: 0.670 local terms energy: -60.854409 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -12.328 tors. eta vs tors. theta energy: -11.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -148.812156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.812156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.812156 (E_RNA) where: Base-Base interactions energy: -94.072 where: short stacking energy: -50.626 Base-Backbone interact. energy: -0.197 local terms energy: -54.542721 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -13.583 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -14.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -145.433878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.433878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.433878 (E_RNA) where: Base-Base interactions energy: -97.991 where: short stacking energy: -41.425 Base-Backbone interact. energy: 3.468 local terms energy: -50.910727 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -15.760 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -10.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -84.073601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.073601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.073601 (E_RNA) where: Base-Base interactions energy: -36.599 where: short stacking energy: -24.998 Base-Backbone interact. energy: -0.229 local terms energy: -47.245406 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -16.147 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -1.352 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: 10, replica: 3 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -73.884631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.884631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.884631 (E_RNA) where: Base-Base interactions energy: -25.005 where: short stacking energy: -25.005 Base-Backbone interact. energy: -0.664 local terms energy: -48.215333 where: bonds (distance) C4'-P energy: -8.980 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -11.366 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -189.868327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.868327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.868327 (E_RNA) where: Base-Base interactions energy: -113.668 where: short stacking energy: -70.749 Base-Backbone interact. energy: -0.807 local terms energy: -75.393724 where: bonds (distance) C4'-P energy: -15.041 bonds (distance) P-C4' energy: -15.275 flat angles C4'-P-C4' energy: -14.956 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -18.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -189.710957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.710957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.710957 (E_RNA) where: Base-Base interactions energy: -120.910 where: short stacking energy: -62.167 Base-Backbone interact. energy: -0.056 local terms energy: -68.744802 where: bonds (distance) C4'-P energy: -15.258 bonds (distance) P-C4' energy: -15.384 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -11.701 tors. eta vs tors. theta energy: -15.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -178.376783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.376783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.376783 (E_RNA) where: Base-Base interactions energy: -108.639 where: short stacking energy: -61.660 Base-Backbone interact. energy: -0.018 local terms energy: -69.719947 where: bonds (distance) C4'-P energy: -15.142 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -10.516 tors. eta vs tors. theta energy: -15.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -189.841073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.841073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.841073 (E_RNA) where: Base-Base interactions energy: -124.838 where: short stacking energy: -59.007 Base-Backbone interact. energy: -0.681 local terms energy: -64.322046 where: bonds (distance) C4'-P energy: -14.861 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -9.399 tors. eta vs tors. theta energy: -15.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -160.970246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.970246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.970246 (E_RNA) where: Base-Base interactions energy: -100.829 where: short stacking energy: -44.409 Base-Backbone interact. energy: -1.267 local terms energy: -58.874076 where: bonds (distance) C4'-P energy: -15.439 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -161.537563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.537563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.537563 (E_RNA) where: Base-Base interactions energy: -100.863 where: short stacking energy: -59.274 Base-Backbone interact. energy: 2.414 local terms energy: -63.088809 where: bonds (distance) C4'-P energy: -16.326 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -9.646 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -12.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -159.296728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.296728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.296728 (E_RNA) where: Base-Base interactions energy: -93.428 where: short stacking energy: -55.019 Base-Backbone interact. energy: -0.307 local terms energy: -65.561194 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -15.982 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -14.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -141.130367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.130367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.130367 (E_RNA) where: Base-Base interactions energy: -93.518 where: short stacking energy: -48.796 Base-Backbone interact. energy: 0.014 local terms energy: -47.626228 where: bonds (distance) C4'-P energy: -8.326 bonds (distance) P-C4' energy: -13.726 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -7.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -77.067656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.067656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.067656 (E_RNA) where: Base-Base interactions energy: -31.581 where: short stacking energy: -31.581 Base-Backbone interact. energy: -0.152 local terms energy: -45.334823 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: 0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -80.108477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.108477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.108477 (E_RNA) where: Base-Base interactions energy: -32.103 where: short stacking energy: -31.618 Base-Backbone interact. energy: -0.089 local terms energy: -47.915861 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: 4.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -191.283675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.283675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.283675 (E_RNA) where: Base-Base interactions energy: -120.213 where: short stacking energy: -68.744 Base-Backbone interact. energy: -0.050 local terms energy: -71.020381 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -9.930 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -13.865 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -195.144633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.144633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.144633 (E_RNA) where: Base-Base interactions energy: -113.774 where: short stacking energy: -70.879 Base-Backbone interact. energy: -0.012 local terms energy: -81.359205 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -18.215 flat angles C4'-P-C4' energy: -18.246 flat angles P-C4'-P energy: -12.743 tors. eta vs tors. theta energy: -18.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -180.328827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.328827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.328827 (E_RNA) where: Base-Base interactions energy: -111.200 where: short stacking energy: -72.332 Base-Backbone interact. energy: 0.177 local terms energy: -69.305646 where: bonds (distance) C4'-P energy: -14.522 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -18.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -168.062764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.062764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.062764 (E_RNA) where: Base-Base interactions energy: -102.172 where: short stacking energy: -52.728 Base-Backbone interact. energy: 0.465 local terms energy: -66.355345 where: bonds (distance) C4'-P energy: -16.450 bonds (distance) P-C4' energy: -17.660 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -7.950 tors. eta vs tors. theta energy: -9.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -175.611186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.611186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.611186 (E_RNA) where: Base-Base interactions energy: -103.781 where: short stacking energy: -58.757 Base-Backbone interact. energy: -0.114 local terms energy: -71.716391 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -15.968 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -11.794 tors. eta vs tors. theta energy: -14.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -156.460727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.460727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.460727 (E_RNA) where: Base-Base interactions energy: -93.125 where: short stacking energy: -46.258 Base-Backbone interact. energy: 0.197 local terms energy: -63.533218 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -137.603389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.603389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.603389 (E_RNA) where: Base-Base interactions energy: -79.427 where: short stacking energy: -35.267 Base-Backbone interact. energy: -0.422 local terms energy: -57.753779 where: bonds (distance) C4'-P energy: -14.802 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -152.127029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.127029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.127029 (E_RNA) where: Base-Base interactions energy: -96.462 where: short stacking energy: -46.843 Base-Backbone interact. energy: -0.412 local terms energy: -55.252585 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -8.043 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -13.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -89.264108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.264108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.264108 (E_RNA) where: Base-Base interactions energy: -42.757 where: short stacking energy: -34.851 Base-Backbone interact. energy: -0.223 local terms energy: -46.283920 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -12.788 flat angles C4'-P-C4' energy: -10.803 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -0.508 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: 2 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -76.936946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.936946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.936946 (E_RNA) where: Base-Base interactions energy: -28.406 where: short stacking energy: -13.028 Base-Backbone interact. energy: -0.224 local terms energy: -48.306894 where: bonds (distance) C4'-P energy: -16.137 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: 1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -184.367543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.367543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.367543 (E_RNA) where: Base-Base interactions energy: -113.516 where: short stacking energy: -63.576 Base-Backbone interact. energy: -0.019 local terms energy: -70.832761 where: bonds (distance) C4'-P energy: -17.630 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -16.514 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -11.780 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: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -179.137756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.137756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.137756 (E_RNA) where: Base-Base interactions energy: -110.457 where: short stacking energy: -61.718 Base-Backbone interact. energy: -0.404 local terms energy: -68.276078 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -173.772115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.772115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.772115 (E_RNA) where: Base-Base interactions energy: -103.039 where: short stacking energy: -58.335 Base-Backbone interact. energy: -0.396 local terms energy: -70.336811 where: bonds (distance) C4'-P energy: -16.144 bonds (distance) P-C4' energy: -18.443 flat angles C4'-P-C4' energy: -16.282 flat angles P-C4'-P energy: -6.865 tors. eta vs tors. theta energy: -12.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -173.227182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.227182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.227182 (E_RNA) where: Base-Base interactions energy: -100.045 where: short stacking energy: -61.892 Base-Backbone interact. energy: -0.113 local terms energy: -73.069133 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -18.326 flat angles P-C4'-P energy: -8.641 tors. eta vs tors. theta energy: -14.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -163.698223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.698223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.698223 (E_RNA) where: Base-Base interactions energy: -96.825 where: short stacking energy: -58.765 Base-Backbone interact. energy: -0.033 local terms energy: -66.839555 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -12.070 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -16.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -152.830593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.830593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.830593 (E_RNA) where: Base-Base interactions energy: -93.820 where: short stacking energy: -47.575 Base-Backbone interact. energy: -0.574 local terms energy: -58.436050 where: bonds (distance) C4'-P energy: -15.970 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -12.212 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -147.674138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.674138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.674138 (E_RNA) where: Base-Base interactions energy: -88.793 where: short stacking energy: -44.639 Base-Backbone interact. energy: -0.420 local terms energy: -58.461148 where: bonds (distance) C4'-P energy: -14.911 bonds (distance) P-C4' energy: -14.651 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -7.741 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -148.808985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.808985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.808985 (E_RNA) where: Base-Base interactions energy: -88.499 where: short stacking energy: -45.761 Base-Backbone interact. energy: -0.108 local terms energy: -60.201962 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -16.021 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -12.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -91.091612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.091612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.091612 (E_RNA) where: Base-Base interactions energy: -37.037 where: short stacking energy: -29.059 Base-Backbone interact. energy: -0.221 local terms energy: -53.833877 where: bonds (distance) C4'-P energy: -8.750 bonds (distance) P-C4' energy: -16.354 flat angles C4'-P-C4' energy: -15.242 flat angles P-C4'-P energy: -12.475 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -72.155758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.155758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.155758 (E_RNA) where: Base-Base interactions energy: -31.727 where: short stacking energy: -31.727 Base-Backbone interact. energy: -0.186 local terms energy: -40.242804 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -10.391 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -3.433 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: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -187.872005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.872005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.872005 (E_RNA) where: Base-Base interactions energy: -117.958 where: short stacking energy: -67.358 Base-Backbone interact. energy: -0.133 local terms energy: -69.781152 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -16.860 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -16.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -190.268635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.268635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.268635 (E_RNA) where: Base-Base interactions energy: -118.565 where: short stacking energy: -61.470 Base-Backbone interact. energy: -0.070 local terms energy: -71.633336 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -17.595 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -16.233 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: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -183.437076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.437076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.437076 (E_RNA) where: Base-Base interactions energy: -111.433 where: short stacking energy: -59.994 Base-Backbone interact. energy: -0.153 local terms energy: -71.850852 where: bonds (distance) C4'-P energy: -16.872 bonds (distance) P-C4' energy: -12.615 flat angles C4'-P-C4' energy: -15.358 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -14.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -180.229106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.229106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.229106 (E_RNA) where: Base-Base interactions energy: -117.207 where: short stacking energy: -55.260 Base-Backbone interact. energy: -0.032 local terms energy: -62.990234 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -15.865 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -11.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -165.703321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.703321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.703321 (E_RNA) where: Base-Base interactions energy: -99.634 where: short stacking energy: -58.087 Base-Backbone interact. energy: -0.001 local terms energy: -66.067829 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -16.071 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -13.385 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: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -146.250692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.250692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.250692 (E_RNA) where: Base-Base interactions energy: -86.536 where: short stacking energy: -42.588 Base-Backbone interact. energy: -0.150 local terms energy: -59.564783 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -14.693 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -8.606 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: 7, replica: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -148.324051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.324051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.324051 (E_RNA) where: Base-Base interactions energy: -85.872 where: short stacking energy: -32.458 Base-Backbone interact. energy: 0.262 local terms energy: -62.714225 where: bonds (distance) C4'-P energy: -16.272 bonds (distance) P-C4' energy: -17.764 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -12.225 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -139.751712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.751712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.751712 (E_RNA) where: Base-Base interactions energy: -79.664 where: short stacking energy: -42.036 Base-Backbone interact. energy: -0.274 local terms energy: -59.813654 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -18.687 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -10.564 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -88.195447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.195447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.195447 (E_RNA) where: Base-Base interactions energy: -37.697 where: short stacking energy: -37.697 Base-Backbone interact. energy: -0.031 local terms energy: -50.467933 where: bonds (distance) C4'-P energy: -2.357 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -16.487 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -77.145954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.145954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.145954 (E_RNA) where: Base-Base interactions energy: -27.625 where: short stacking energy: -27.625 Base-Backbone interact. energy: -0.028 local terms energy: -49.492844 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -194.679119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.679119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.679119 (E_RNA) where: Base-Base interactions energy: -116.689 where: short stacking energy: -70.669 Base-Backbone interact. energy: -0.013 local terms energy: -77.977207 where: bonds (distance) C4'-P energy: -13.855 bonds (distance) P-C4' energy: -14.837 flat angles C4'-P-C4' energy: -15.544 flat angles P-C4'-P energy: -13.465 tors. eta vs tors. theta energy: -20.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -191.244754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.244754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.244754 (E_RNA) where: Base-Base interactions energy: -115.197 where: short stacking energy: -63.974 Base-Backbone interact. energy: -0.099 local terms energy: -75.948419 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -17.037 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -14.711 tors. eta vs tors. theta energy: -17.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -163.549593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.549593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.549593 (E_RNA) where: Base-Base interactions energy: -101.146 where: short stacking energy: -54.784 Base-Backbone interact. energy: 0.163 local terms energy: -62.565879 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -8.395 tors. eta vs tors. theta energy: -12.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -167.135705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.135705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.135705 (E_RNA) where: Base-Base interactions energy: -99.074 where: short stacking energy: -62.400 Base-Backbone interact. energy: -0.009 local terms energy: -68.053183 where: bonds (distance) C4'-P energy: -14.061 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -10.121 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -17.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -171.124003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.124003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.124003 (E_RNA) where: Base-Base interactions energy: -106.292 where: short stacking energy: -65.714 Base-Backbone interact. energy: -0.018 local terms energy: -64.814031 where: bonds (distance) C4'-P energy: -15.666 bonds (distance) P-C4' energy: -10.632 flat angles C4'-P-C4' energy: -16.143 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: -13.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -162.184130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.184130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.184130 (E_RNA) where: Base-Base interactions energy: -109.997 where: short stacking energy: -54.038 Base-Backbone interact. energy: -0.073 local terms energy: -52.113872 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -13.195 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -165.447010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.447010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.447010 (E_RNA) where: Base-Base interactions energy: -103.478 where: short stacking energy: -57.256 Base-Backbone interact. energy: -0.034 local terms energy: -61.934681 where: bonds (distance) C4'-P energy: -10.944 bonds (distance) P-C4' energy: -10.829 flat angles C4'-P-C4' energy: -16.916 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -13.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -142.552844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.552844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.552844 (E_RNA) where: Base-Base interactions energy: -88.801 where: short stacking energy: -34.754 Base-Backbone interact. energy: -0.150 local terms energy: -53.601844 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -16.664 flat angles C4'-P-C4' energy: -10.865 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -5.818 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: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -74.320160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.320160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.320160 (E_RNA) where: Base-Base interactions energy: -40.828 where: short stacking energy: -21.249 Base-Backbone interact. energy: 0.856 local terms energy: -34.348237 where: bonds (distance) C4'-P energy: -15.042 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -0.753 tors. eta vs tors. theta energy: 4.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -78.348888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.348888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.348888 (E_RNA) where: Base-Base interactions energy: -25.624 where: short stacking energy: -25.418 Base-Backbone interact. energy: -0.179 local terms energy: -52.546081 where: bonds (distance) C4'-P energy: -13.495 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -11.419 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -194.933185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.933185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.933185 (E_RNA) where: Base-Base interactions energy: -129.010 where: short stacking energy: -66.335 Base-Backbone interact. energy: -0.154 local terms energy: -65.768711 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -12.739 tors. eta vs tors. theta energy: -15.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -190.683584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.683584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.683584 (E_RNA) where: Base-Base interactions energy: -110.452 where: short stacking energy: -63.309 Base-Backbone interact. energy: -0.101 local terms energy: -80.129893 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -18.450 flat angles P-C4'-P energy: -11.249 tors. eta vs tors. theta energy: -18.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -178.722834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.722834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.722834 (E_RNA) where: Base-Base interactions energy: -107.050 where: short stacking energy: -53.779 Base-Backbone interact. energy: -0.303 local terms energy: -71.370346 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -11.702 tors. eta vs tors. theta energy: -12.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -151.434602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.434602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.434602 (E_RNA) where: Base-Base interactions energy: -85.026 where: short stacking energy: -45.303 Base-Backbone interact. energy: -0.484 local terms energy: -65.925077 where: bonds (distance) C4'-P energy: -15.676 bonds (distance) P-C4' energy: -17.023 flat angles C4'-P-C4' energy: -15.359 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -9.496 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: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -170.857564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.857564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.857564 (E_RNA) where: Base-Base interactions energy: -107.896 where: short stacking energy: -56.866 Base-Backbone interact. energy: 0.583 local terms energy: -63.544774 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -12.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -161.603736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.603736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.603736 (E_RNA) where: Base-Base interactions energy: -100.152 where: short stacking energy: -58.676 Base-Backbone interact. energy: -0.021 local terms energy: -61.431562 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -16.763 flat angles C4'-P-C4' energy: -11.166 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -153.188411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.188411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.188411 (E_RNA) where: Base-Base interactions energy: -96.333 where: short stacking energy: -48.328 Base-Backbone interact. energy: -0.577 local terms energy: -56.278012 where: bonds (distance) C4'-P energy: -9.852 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -10.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -141.435927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.435927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.435927 (E_RNA) where: Base-Base interactions energy: -89.188 where: short stacking energy: -46.022 Base-Backbone interact. energy: -0.331 local terms energy: -51.916144 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -11.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -81.311214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.311214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.311214 (E_RNA) where: Base-Base interactions energy: -28.563 where: short stacking energy: -27.591 Base-Backbone interact. energy: -0.242 local terms energy: -52.506389 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -6.412 flat angles C4'-P-C4' energy: -15.390 flat angles P-C4'-P energy: -12.302 tors. eta vs tors. theta energy: -4.573 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: 3 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -81.937730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.937730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.937730 (E_RNA) where: Base-Base interactions energy: -27.329 where: short stacking energy: -25.241 Base-Backbone interact. energy: -0.029 local terms energy: -54.580459 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -202.346309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.346309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.346309 (E_RNA) where: Base-Base interactions energy: -126.194 where: short stacking energy: -67.105 Base-Backbone interact. energy: -0.001 local terms energy: -76.151269 where: bonds (distance) C4'-P energy: -16.831 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -19.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -182.693672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.693672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.693672 (E_RNA) where: Base-Base interactions energy: -108.127 where: short stacking energy: -63.448 Base-Backbone interact. energy: -0.197 local terms energy: -74.369969 where: bonds (distance) C4'-P energy: -14.624 bonds (distance) P-C4' energy: -15.517 flat angles C4'-P-C4' energy: -15.876 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -180.571489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.571489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.571489 (E_RNA) where: Base-Base interactions energy: -111.162 where: short stacking energy: -63.714 Base-Backbone interact. energy: -0.169 local terms energy: -69.240484 where: bonds (distance) C4'-P energy: -15.514 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -15.773 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -14.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -166.515021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.515021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.515021 (E_RNA) where: Base-Base interactions energy: -106.481 where: short stacking energy: -64.262 Base-Backbone interact. energy: -0.453 local terms energy: -59.581403 where: bonds (distance) C4'-P energy: -15.507 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -12.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -154.902787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.902787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.902787 (E_RNA) where: Base-Base interactions energy: -91.977 where: short stacking energy: -46.268 Base-Backbone interact. energy: -0.158 local terms energy: -62.768000 where: bonds (distance) C4'-P energy: -15.994 bonds (distance) P-C4' energy: -15.707 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -145.267813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.267813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.267813 (E_RNA) where: Base-Base interactions energy: -88.942 where: short stacking energy: -37.434 Base-Backbone interact. energy: -0.752 local terms energy: -55.574690 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -138.932118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.932118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.932118 (E_RNA) where: Base-Base interactions energy: -84.112 where: short stacking energy: -41.996 Base-Backbone interact. energy: -0.103 local terms energy: -54.717047 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -14.180 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -92.677168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.677168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.677168 (E_RNA) where: Base-Base interactions energy: -38.756 where: short stacking energy: -38.756 Base-Backbone interact. energy: -0.115 local terms energy: -53.806328 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -13.175 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -141.566250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.566250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.566250 (E_RNA) where: Base-Base interactions energy: -87.851 where: short stacking energy: -45.323 Base-Backbone interact. energy: -0.072 local terms energy: -53.642710 where: bonds (distance) C4'-P energy: -10.063 bonds (distance) P-C4' energy: -6.699 flat angles C4'-P-C4' energy: -17.096 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -11.250 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: 3 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -81.337546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.337546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.337546 (E_RNA) where: Base-Base interactions energy: -24.474 where: short stacking energy: -24.474 Base-Backbone interact. energy: -0.468 local terms energy: -56.395369 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -11.032 flat angles C4'-P-C4' energy: -16.140 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -6.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -206.402016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.402016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.402016 (E_RNA) where: Base-Base interactions energy: -130.743 where: short stacking energy: -70.025 Base-Backbone interact. energy: 0.209 local terms energy: -75.868280 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -17.171 flat angles C4'-P-C4' energy: -16.018 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -20.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -174.118309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.118309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.118309 (E_RNA) where: Base-Base interactions energy: -107.196 where: short stacking energy: -52.927 Base-Backbone interact. energy: -0.585 local terms energy: -66.336913 where: bonds (distance) C4'-P energy: -13.220 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -191.159449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.159449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.159449 (E_RNA) where: Base-Base interactions energy: -111.880 where: short stacking energy: -66.857 Base-Backbone interact. energy: -0.232 local terms energy: -79.047440 where: bonds (distance) C4'-P energy: -16.189 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -14.873 flat angles P-C4'-P energy: -12.755 tors. eta vs tors. theta energy: -19.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -170.533934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.533934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.533934 (E_RNA) where: Base-Base interactions energy: -102.152 where: short stacking energy: -58.768 Base-Backbone interact. energy: -0.168 local terms energy: -68.213701 where: bonds (distance) C4'-P energy: -16.413 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -17.681 flat angles P-C4'-P energy: -9.790 tors. eta vs tors. theta energy: -10.624 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: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -160.624614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.624614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.624614 (E_RNA) where: Base-Base interactions energy: -96.641 where: short stacking energy: -55.145 Base-Backbone interact. energy: -0.037 local terms energy: -63.946458 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -159.327919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.327919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.327919 (E_RNA) where: Base-Base interactions energy: -93.228 where: short stacking energy: -51.252 Base-Backbone interact. energy: -0.626 local terms energy: -65.474507 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -145.475281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.475281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.475281 (E_RNA) where: Base-Base interactions energy: -84.566 where: short stacking energy: -32.677 Base-Backbone interact. energy: -0.634 local terms energy: -60.275824 where: bonds (distance) C4'-P energy: -16.534 bonds (distance) P-C4' energy: -16.684 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -8.128 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -73.229147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.229147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.229147 (E_RNA) where: Base-Base interactions energy: -24.904 where: short stacking energy: -19.116 Base-Backbone interact. energy: -0.375 local terms energy: -47.950047 where: bonds (distance) C4'-P energy: -13.370 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: 5.220 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: 100 Temperature: 1.300000 Total energy: -141.447844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.447844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.447844 (E_RNA) where: Base-Base interactions energy: -81.659 where: short stacking energy: -42.226 Base-Backbone interact. energy: -0.171 local terms energy: -59.617192 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -16.660 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -11.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -74.483866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.483866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.483866 (E_RNA) where: Base-Base interactions energy: -20.900 where: short stacking energy: -19.837 Base-Backbone interact. energy: 0.714 local terms energy: -54.297867 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -15.839 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -199.804862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.804862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.804862 (E_RNA) where: Base-Base interactions energy: -118.564 where: short stacking energy: -72.801 Base-Backbone interact. energy: -0.049 local terms energy: -81.191564 where: bonds (distance) C4'-P energy: -18.581 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -16.165 flat angles P-C4'-P energy: -11.901 tors. eta vs tors. theta energy: -20.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -189.915000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.915000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.915000 (E_RNA) where: Base-Base interactions energy: -117.318 where: short stacking energy: -69.748 Base-Backbone interact. energy: -0.013 local terms energy: -72.583952 where: bonds (distance) C4'-P energy: -17.166 bonds (distance) P-C4' energy: -11.571 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -18.558 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: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -185.734873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.734873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.734873 (E_RNA) where: Base-Base interactions energy: -113.403 where: short stacking energy: -61.697 Base-Backbone interact. energy: -0.159 local terms energy: -72.173156 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -12.470 flat angles C4'-P-C4' energy: -16.798 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -17.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -178.570922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.570922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.570922 (E_RNA) where: Base-Base interactions energy: -106.719 where: short stacking energy: -60.971 Base-Backbone interact. energy: -0.292 local terms energy: -71.559952 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -12.414 tors. eta vs tors. theta energy: -18.204 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: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -178.313168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.313168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.313168 (E_RNA) where: Base-Base interactions energy: -109.910 where: short stacking energy: -59.094 Base-Backbone interact. energy: -0.175 local terms energy: -68.227909 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -16.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -159.961246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.961246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.961246 (E_RNA) where: Base-Base interactions energy: -94.175 where: short stacking energy: -54.033 Base-Backbone interact. energy: -0.098 local terms energy: -65.688796 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -14.531 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -14.664 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: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -145.213344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.213344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.213344 (E_RNA) where: Base-Base interactions energy: -88.426 where: short stacking energy: -41.184 Base-Backbone interact. energy: -0.159 local terms energy: -56.628631 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -13.041 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -8.474 tors. eta vs tors. theta energy: -7.731 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: 101 Temperature: 1.250000 Total energy: -141.997505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.997505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.997505 (E_RNA) where: Base-Base interactions energy: -82.505 where: short stacking energy: -37.173 Base-Backbone interact. energy: -0.951 local terms energy: -58.541606 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -8.463 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -12.432 tors. eta vs tors. theta energy: -8.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -99.499132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.499132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.499132 (E_RNA) where: Base-Base interactions energy: -44.454 where: short stacking energy: -28.636 Base-Backbone interact. energy: -0.139 local terms energy: -54.905513 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -81.390533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.390533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.390533 (E_RNA) where: Base-Base interactions energy: -36.906 where: short stacking energy: -30.533 Base-Backbone interact. energy: -0.257 local terms energy: -44.228131 where: bonds (distance) C4'-P energy: -8.641 bonds (distance) P-C4' energy: -9.943 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -191.530211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.530211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.530211 (E_RNA) where: Base-Base interactions energy: -118.620 where: short stacking energy: -69.173 Base-Backbone interact. energy: -0.041 local terms energy: -72.869014 where: bonds (distance) C4'-P energy: -9.329 bonds (distance) P-C4' energy: -16.287 flat angles C4'-P-C4' energy: -16.107 flat angles P-C4'-P energy: -12.170 tors. eta vs tors. theta energy: -18.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -175.646133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.646133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.646133 (E_RNA) where: Base-Base interactions energy: -107.039 where: short stacking energy: -54.820 Base-Backbone interact. energy: -0.324 local terms energy: -68.283549 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -14.376 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -10.992 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: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -159.936888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.936888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.936888 (E_RNA) where: Base-Base interactions energy: -99.130 where: short stacking energy: -59.206 Base-Backbone interact. energy: -0.135 local terms energy: -60.671703 where: bonds (distance) C4'-P energy: -15.267 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -10.873 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -11.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -159.496882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.496882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.496882 (E_RNA) where: Base-Base interactions energy: -88.312 where: short stacking energy: -48.880 Base-Backbone interact. energy: -0.044 local terms energy: -71.141254 where: bonds (distance) C4'-P energy: -15.365 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -15.603 flat angles P-C4'-P energy: -11.301 tors. eta vs tors. theta energy: -13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -154.575421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.575421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.575421 (E_RNA) where: Base-Base interactions energy: -92.372 where: short stacking energy: -47.048 Base-Backbone interact. energy: -0.129 local terms energy: -62.074134 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: -7.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -174.393601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.393601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.393601 (E_RNA) where: Base-Base interactions energy: -104.672 where: short stacking energy: -56.083 Base-Backbone interact. energy: -0.839 local terms energy: -68.882831 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -18.141 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: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -158.108023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.108023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.108023 (E_RNA) where: Base-Base interactions energy: -94.090 where: short stacking energy: -52.752 Base-Backbone interact. energy: 0.022 local terms energy: -64.040063 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -16.991 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -10.100 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: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -137.728554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.728554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.728554 (E_RNA) where: Base-Base interactions energy: -88.006 where: short stacking energy: -45.113 Base-Backbone interact. energy: 0.665 local terms energy: -50.387898 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -7.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -86.443116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.443116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.443116 (E_RNA) where: Base-Base interactions energy: -36.105 where: short stacking energy: -30.375 Base-Backbone interact. energy: -0.100 local terms energy: -50.238429 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -10.325 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -2.986 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: 10, replica: 2 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -78.432275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.432275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.432275 (E_RNA) where: Base-Base interactions energy: -28.039 where: short stacking energy: -27.287 Base-Backbone interact. energy: -0.617 local terms energy: -49.777213 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -14.693 flat angles C4'-P-C4' energy: -13.811 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: 2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -203.472025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.472025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.472025 (E_RNA) where: Base-Base interactions energy: -127.156 where: short stacking energy: -65.298 Base-Backbone interact. energy: -0.726 local terms energy: -75.590547 where: bonds (distance) C4'-P energy: -15.783 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -15.383 flat angles P-C4'-P energy: -12.994 tors. eta vs tors. theta energy: -17.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -206.260575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.260575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.260575 (E_RNA) where: Base-Base interactions energy: -133.470 where: short stacking energy: -61.557 Base-Backbone interact. energy: -0.393 local terms energy: -72.397875 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -17.333 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -16.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -168.424874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.424874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.424874 (E_RNA) where: Base-Base interactions energy: -103.741 where: short stacking energy: -57.617 Base-Backbone interact. energy: -0.141 local terms energy: -64.542413 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -17.501 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -13.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -172.505697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.505697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.505697 (E_RNA) where: Base-Base interactions energy: -96.939 where: short stacking energy: -49.985 Base-Backbone interact. energy: -0.104 local terms energy: -75.462876 where: bonds (distance) C4'-P energy: -16.935 bonds (distance) P-C4' energy: -18.246 flat angles C4'-P-C4' energy: -13.665 flat angles P-C4'-P energy: -12.803 tors. eta vs tors. theta energy: -13.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -155.953870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.953870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.953870 (E_RNA) where: Base-Base interactions energy: -89.473 where: short stacking energy: -41.493 Base-Backbone interact. energy: 1.439 local terms energy: -67.920286 where: bonds (distance) C4'-P energy: -15.904 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -12.722 tors. eta vs tors. theta energy: -10.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -156.736405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.736405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.736405 (E_RNA) where: Base-Base interactions energy: -97.232 where: short stacking energy: -50.923 Base-Backbone interact. energy: -0.184 local terms energy: -59.320704 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -8.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -149.640905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.640905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.640905 (E_RNA) where: Base-Base interactions energy: -88.588 where: short stacking energy: -47.114 Base-Backbone interact. energy: -0.112 local terms energy: -60.941305 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -15.096 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -10.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -144.180517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.180517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.180517 (E_RNA) where: Base-Base interactions energy: -89.947 where: short stacking energy: -44.120 Base-Backbone interact. energy: 0.119 local terms energy: -54.352768 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -13.640 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -7.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -74.295391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.295391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.295391 (E_RNA) where: Base-Base interactions energy: -31.517 where: short stacking energy: -31.517 Base-Backbone interact. energy: -0.153 local terms energy: -42.625360 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -78.950806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.950806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.950806 (E_RNA) where: Base-Base interactions energy: -38.946 where: short stacking energy: -26.937 Base-Backbone interact. energy: -0.597 local terms energy: -39.407581 where: bonds (distance) C4'-P energy: -11.515 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: 1.771 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -214.755890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.755890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.755890 (E_RNA) where: Base-Base interactions energy: -138.619 where: short stacking energy: -60.534 Base-Backbone interact. energy: -0.123 local terms energy: -76.013757 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -15.324 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -12.534 tors. eta vs tors. theta energy: -20.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -206.723765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.723765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.723765 (E_RNA) where: Base-Base interactions energy: -130.274 where: short stacking energy: -63.207 Base-Backbone interact. energy: -0.163 local terms energy: -76.286394 where: bonds (distance) C4'-P energy: -11.493 bonds (distance) P-C4' energy: -17.526 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -21.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -184.365421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.365421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.365421 (E_RNA) where: Base-Base interactions energy: -117.592 where: short stacking energy: -67.103 Base-Backbone interact. energy: -0.087 local terms energy: -66.686273 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -18.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -165.023009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.023009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.023009 (E_RNA) where: Base-Base interactions energy: -102.620 where: short stacking energy: -58.004 Base-Backbone interact. energy: -0.021 local terms energy: -62.382400 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -16.248 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -11.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -159.688422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.688422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.688422 (E_RNA) where: Base-Base interactions energy: -100.731 where: short stacking energy: -51.864 Base-Backbone interact. energy: -0.106 local terms energy: -58.852093 where: bonds (distance) C4'-P energy: -16.643 bonds (distance) P-C4' energy: -10.266 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -10.922 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: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -158.810375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.810375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.810375 (E_RNA) where: Base-Base interactions energy: -105.584 where: short stacking energy: -48.272 Base-Backbone interact. energy: 0.518 local terms energy: -53.744729 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -12.869 flat angles C4'-P-C4' energy: -9.364 flat angles P-C4'-P energy: -12.660 tors. eta vs tors. theta energy: -7.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -146.877374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.877374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.877374 (E_RNA) where: Base-Base interactions energy: -84.606 where: short stacking energy: -40.227 Base-Backbone interact. energy: -0.211 local terms energy: -62.060430 where: bonds (distance) C4'-P energy: -13.746 bonds (distance) P-C4' energy: -16.499 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -10.240 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -139.541109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.541109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.541109 (E_RNA) where: Base-Base interactions energy: -82.095 where: short stacking energy: -31.714 Base-Backbone interact. energy: -0.228 local terms energy: -57.217560 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -8.074 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: 104 Temperature: 1.300000 Total energy: -84.498259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.498259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.498259 (E_RNA) where: Base-Base interactions energy: -35.761 where: short stacking energy: -34.634 Base-Backbone interact. energy: -0.015 local terms energy: -48.722105 where: bonds (distance) C4'-P energy: -9.480 bonds (distance) P-C4' energy: -16.071 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -83.715845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.715845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.715845 (E_RNA) where: Base-Base interactions energy: -29.348 where: short stacking energy: -29.348 Base-Backbone interact. energy: -0.174 local terms energy: -54.194037 where: bonds (distance) C4'-P energy: -16.318 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -16.111 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -207.144295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.144295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.144295 (E_RNA) where: Base-Base interactions energy: -131.532 where: short stacking energy: -62.130 Base-Backbone interact. energy: -0.196 local terms energy: -75.416203 where: bonds (distance) C4'-P energy: -15.346 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -17.813 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -17.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -205.661049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.661049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.661049 (E_RNA) where: Base-Base interactions energy: -132.794 where: short stacking energy: -64.859 Base-Backbone interact. energy: -0.138 local terms energy: -72.728924 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -16.406 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -14.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -187.650496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.650496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.650496 (E_RNA) where: Base-Base interactions energy: -110.998 where: short stacking energy: -61.541 Base-Backbone interact. energy: -0.092 local terms energy: -76.560077 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -16.731 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -17.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -167.469804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.469804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.469804 (E_RNA) where: Base-Base interactions energy: -97.468 where: short stacking energy: -53.320 Base-Backbone interact. energy: -0.049 local terms energy: -69.952308 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -16.293 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -14.857 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: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -168.528039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.528039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.528039 (E_RNA) where: Base-Base interactions energy: -103.481 where: short stacking energy: -60.045 Base-Backbone interact. energy: -0.390 local terms energy: -64.656970 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -16.066 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -11.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -157.619827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.619827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.619827 (E_RNA) where: Base-Base interactions energy: -98.050 where: short stacking energy: -38.621 Base-Backbone interact. energy: -0.706 local terms energy: -58.863044 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -15.292 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -9.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -143.560989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.560989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.560989 (E_RNA) where: Base-Base interactions energy: -85.896 where: short stacking energy: -41.636 Base-Backbone interact. energy: -0.120 local terms energy: -57.545230 where: bonds (distance) C4'-P energy: -16.490 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -135.440326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.440326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.440326 (E_RNA) where: Base-Base interactions energy: -80.835 where: short stacking energy: -38.260 Base-Backbone interact. energy: -0.188 local terms energy: -54.416850 where: bonds (distance) C4'-P energy: -9.711 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -11.724 tors. eta vs tors. theta energy: -6.409 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: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -91.813792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.813792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.813792 (E_RNA) where: Base-Base interactions energy: -44.318 where: short stacking energy: -44.318 Base-Backbone interact. energy: -0.143 local terms energy: -47.352415 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -8.049 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -78.774366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.774366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.774366 (E_RNA) where: Base-Base interactions energy: -30.776 where: short stacking energy: -24.797 Base-Backbone interact. energy: 2.128 local terms energy: -50.126269 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: 0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -204.957742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.957742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.957742 (E_RNA) where: Base-Base interactions energy: -136.084 where: short stacking energy: -64.652 Base-Backbone interact. energy: -0.119 local terms energy: -68.754626 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -17.056 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -16.992 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: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -213.955709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.955709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.955709 (E_RNA) where: Base-Base interactions energy: -137.169 where: short stacking energy: -75.040 Base-Backbone interact. energy: -0.093 local terms energy: -76.694065 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -15.842 flat angles C4'-P-C4' energy: -16.211 flat angles P-C4'-P energy: -11.765 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -171.755232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.755232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.755232 (E_RNA) where: Base-Base interactions energy: -103.069 where: short stacking energy: -57.273 Base-Backbone interact. energy: -1.074 local terms energy: -67.611858 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -12.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -162.329196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.329196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.329196 (E_RNA) where: Base-Base interactions energy: -99.188 where: short stacking energy: -51.043 Base-Backbone interact. energy: -0.083 local terms energy: -63.058267 where: bonds (distance) C4'-P energy: -15.828 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -16.219 flat angles P-C4'-P energy: -9.505 tors. eta vs tors. theta energy: -12.522 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: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -159.967432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.967432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.967432 (E_RNA) where: Base-Base interactions energy: -94.033 where: short stacking energy: -44.116 Base-Backbone interact. energy: -1.063 local terms energy: -64.871454 where: bonds (distance) C4'-P energy: -10.060 bonds (distance) P-C4' energy: -16.113 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -12.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -153.071968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.071968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.071968 (E_RNA) where: Base-Base interactions energy: -97.014 where: short stacking energy: -50.309 Base-Backbone interact. energy: -0.025 local terms energy: -56.032525 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -16.001 flat angles C4'-P-C4' energy: -15.881 flat angles P-C4'-P energy: -7.040 tors. eta vs tors. theta energy: -6.651 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: 7, replica: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -146.194296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.194296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.194296 (E_RNA) where: Base-Base interactions energy: -94.274 where: short stacking energy: -47.649 Base-Backbone interact. energy: 2.111 local terms energy: -54.031409 where: bonds (distance) C4'-P energy: -13.635 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -143.619290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.619290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.619290 (E_RNA) where: Base-Base interactions energy: -82.034 where: short stacking energy: -42.495 Base-Backbone interact. energy: -0.133 local terms energy: -61.452074 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -8.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -89.069721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.069721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.069721 (E_RNA) where: Base-Base interactions energy: -41.618 where: short stacking energy: -41.618 Base-Backbone interact. energy: -0.019 local terms energy: -47.432076 where: bonds (distance) C4'-P energy: -7.500 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -2.228 tors. eta vs tors. theta energy: -9.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -91.812769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.812769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.812769 (E_RNA) where: Base-Base interactions energy: -39.874 where: short stacking energy: -39.874 Base-Backbone interact. energy: -0.106 local terms energy: -51.832961 where: bonds (distance) C4'-P energy: -8.860 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -15.845 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -203.689730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.689730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.689730 (E_RNA) where: Base-Base interactions energy: -123.438 where: short stacking energy: -68.046 Base-Backbone interact. energy: -0.148 local terms energy: -80.104182 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -17.717 flat angles P-C4'-P energy: -13.625 tors. eta vs tors. theta energy: -20.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -202.995148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.995148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.995148 (E_RNA) where: Base-Base interactions energy: -125.234 where: short stacking energy: -61.507 Base-Backbone interact. energy: -0.198 local terms energy: -77.562940 where: bonds (distance) C4'-P energy: -16.580 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -17.227 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -194.083636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.083636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.083636 (E_RNA) where: Base-Base interactions energy: -125.831 where: short stacking energy: -61.497 Base-Backbone interact. energy: -0.009 local terms energy: -68.244389 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -11.291 flat angles C4'-P-C4' energy: -16.231 flat angles P-C4'-P energy: -12.793 tors. eta vs tors. theta energy: -14.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -174.977748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.977748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.977748 (E_RNA) where: Base-Base interactions energy: -104.359 where: short stacking energy: -61.112 Base-Backbone interact. energy: -0.024 local terms energy: -70.594722 where: bonds (distance) C4'-P energy: -15.258 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -13.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -152.845426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.845426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.845426 (E_RNA) where: Base-Base interactions energy: -86.371 where: short stacking energy: -45.499 Base-Backbone interact. energy: -0.182 local terms energy: -66.292192 where: bonds (distance) C4'-P energy: -13.743 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -15.226 flat angles P-C4'-P energy: -11.935 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -167.455049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.455049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.455049 (E_RNA) where: Base-Base interactions energy: -109.573 where: short stacking energy: -49.165 Base-Backbone interact. energy: -0.187 local terms energy: -57.695300 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -14.112 flat angles C4'-P-C4' energy: -10.295 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -8.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -149.859860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.859860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.859860 (E_RNA) where: Base-Base interactions energy: -94.024 where: short stacking energy: -42.973 Base-Backbone interact. energy: -0.139 local terms energy: -55.696619 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -16.150 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -87.725272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.725272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.725272 (E_RNA) where: Base-Base interactions energy: -35.441 where: short stacking energy: -35.227 Base-Backbone interact. energy: -0.005 local terms energy: -52.278851 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -137.846472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.846472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.846472 (E_RNA) where: Base-Base interactions energy: -82.417 where: short stacking energy: -30.477 Base-Backbone interact. energy: 2.317 local terms energy: -57.745916 where: bonds (distance) C4'-P energy: -14.533 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -11.028 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -91.167515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.167515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.167515 (E_RNA) where: Base-Base interactions energy: -35.687 where: short stacking energy: -34.393 Base-Backbone interact. energy: 0.058 local terms energy: -55.539000 where: bonds (distance) C4'-P energy: -9.314 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -13.324 flat angles P-C4'-P energy: -12.871 tors. eta vs tors. theta energy: -7.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -196.525988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.525988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.525988 (E_RNA) where: Base-Base interactions energy: -116.009 where: short stacking energy: -79.311 Base-Backbone interact. energy: -0.003 local terms energy: -80.513375 where: bonds (distance) C4'-P energy: -18.077 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -21.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -190.212431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.212431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.212431 (E_RNA) where: Base-Base interactions energy: -121.662 where: short stacking energy: -61.295 Base-Backbone interact. energy: -0.016 local terms energy: -68.534456 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -16.182 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -11.255 tors. eta vs tors. theta energy: -13.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -182.580252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.580252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.580252 (E_RNA) where: Base-Base interactions energy: -122.098 where: short stacking energy: -65.019 Base-Backbone interact. energy: 0.328 local terms energy: -60.810708 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -11.773 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -13.083 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: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -170.512220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.512220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.512220 (E_RNA) where: Base-Base interactions energy: -99.292 where: short stacking energy: -49.111 Base-Backbone interact. energy: -1.143 local terms energy: -70.076730 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -17.182 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -11.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -162.608397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.608397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.608397 (E_RNA) where: Base-Base interactions energy: -98.245 where: short stacking energy: -54.096 Base-Backbone interact. energy: -0.192 local terms energy: -64.171651 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -11.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -161.085639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.085639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.085639 (E_RNA) where: Base-Base interactions energy: -100.123 where: short stacking energy: -56.892 Base-Backbone interact. energy: -0.012 local terms energy: -60.950365 where: bonds (distance) C4'-P energy: -10.886 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -149.462275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.462275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.462275 (E_RNA) where: Base-Base interactions energy: -86.073 where: short stacking energy: -47.221 Base-Backbone interact. energy: -0.118 local terms energy: -63.271437 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -8.118 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: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -99.596101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.596101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.596101 (E_RNA) where: Base-Base interactions energy: -47.424 where: short stacking energy: -44.125 Base-Backbone interact. energy: -0.062 local terms energy: -52.109833 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -7.488 tors. eta vs tors. theta energy: -9.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -140.077236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.077236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.077236 (E_RNA) where: Base-Base interactions energy: -75.719 where: short stacking energy: -37.201 Base-Backbone interact. energy: 0.043 local terms energy: -64.401789 where: bonds (distance) C4'-P energy: -16.375 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -15.134 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -8.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -75.120670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.120670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.120670 (E_RNA) where: Base-Base interactions energy: -30.804 where: short stacking energy: -18.820 Base-Backbone interact. energy: -0.191 local terms energy: -44.125256 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: 3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -191.681528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.681528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.681528 (E_RNA) where: Base-Base interactions energy: -115.399 where: short stacking energy: -65.500 Base-Backbone interact. energy: -0.119 local terms energy: -76.164184 where: bonds (distance) C4'-P energy: -16.040 bonds (distance) P-C4' energy: -15.204 flat angles C4'-P-C4' energy: -15.728 flat angles P-C4'-P energy: -12.900 tors. eta vs tors. theta energy: -16.292 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: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -200.170967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.170967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.170967 (E_RNA) where: Base-Base interactions energy: -129.506 where: short stacking energy: -65.751 Base-Backbone interact. energy: -0.585 local terms energy: -70.080064 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -14.344 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -11.265 tors. eta vs tors. theta energy: -15.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -197.269205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.269205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.269205 (E_RNA) where: Base-Base interactions energy: -126.552 where: short stacking energy: -60.989 Base-Backbone interact. energy: 0.324 local terms energy: -71.040917 where: bonds (distance) C4'-P energy: -15.245 bonds (distance) P-C4' energy: -17.154 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -15.579 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: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -165.607249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.607249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.607249 (E_RNA) where: Base-Base interactions energy: -99.440 where: short stacking energy: -55.514 Base-Backbone interact. energy: 0.766 local terms energy: -66.933189 where: bonds (distance) C4'-P energy: -17.969 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -13.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -160.170755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.170755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.170755 (E_RNA) where: Base-Base interactions energy: -96.782 where: short stacking energy: -51.282 Base-Backbone interact. energy: -0.134 local terms energy: -63.254570 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -12.074 tors. eta vs tors. theta energy: -10.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -156.152229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.152229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.152229 (E_RNA) where: Base-Base interactions energy: -94.191 where: short stacking energy: -46.362 Base-Backbone interact. energy: -0.281 local terms energy: -61.680519 where: bonds (distance) C4'-P energy: -10.302 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -16.697 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -8.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -155.115434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.115434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.115434 (E_RNA) where: Base-Base interactions energy: -91.937 where: short stacking energy: -49.518 Base-Backbone interact. energy: -0.158 local terms energy: -63.021126 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -15.911 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -9.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -152.275140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.275140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.275140 (E_RNA) where: Base-Base interactions energy: -84.288 where: short stacking energy: -36.390 Base-Backbone interact. energy: -0.116 local terms energy: -67.870852 where: bonds (distance) C4'-P energy: -17.426 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -17.607 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -83.389509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.389509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.389509 (E_RNA) where: Base-Base interactions energy: -30.012 where: short stacking energy: -27.218 Base-Backbone interact. energy: 1.207 local terms energy: -54.583871 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -81.595206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.595206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.595206 (E_RNA) where: Base-Base interactions energy: -34.264 where: short stacking energy: -29.666 Base-Backbone interact. energy: -0.137 local terms energy: -47.194623 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -205.148734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.148734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.148734 (E_RNA) where: Base-Base interactions energy: -133.721 where: short stacking energy: -70.438 Base-Backbone interact. energy: 0.460 local terms energy: -71.887035 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -17.452 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -20.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -182.589571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.589571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.589571 (E_RNA) where: Base-Base interactions energy: -108.928 where: short stacking energy: -64.995 Base-Backbone interact. energy: -0.080 local terms energy: -73.581664 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -12.717 flat angles C4'-P-C4' energy: -15.746 flat angles P-C4'-P energy: -14.136 tors. eta vs tors. theta energy: -16.685 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: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -169.263200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.263200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.263200 (E_RNA) where: Base-Base interactions energy: -105.754 where: short stacking energy: -58.116 Base-Backbone interact. energy: -0.038 local terms energy: -63.471086 where: bonds (distance) C4'-P energy: -15.593 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -7.481 tors. eta vs tors. theta energy: -12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -187.140374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.140374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.140374 (E_RNA) where: Base-Base interactions energy: -117.870 where: short stacking energy: -56.889 Base-Backbone interact. energy: -1.584 local terms energy: -67.685955 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -17.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -169.421282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.421282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.421282 (E_RNA) where: Base-Base interactions energy: -98.802 where: short stacking energy: -58.772 Base-Backbone interact. energy: -0.001 local terms energy: -70.618391 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -13.943 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -169.720131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.720131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.720131 (E_RNA) where: Base-Base interactions energy: -110.381 where: short stacking energy: -65.972 Base-Backbone interact. energy: 0.313 local terms energy: -59.651208 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -11.174 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -16.737 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: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -144.249924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.249924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.249924 (E_RNA) where: Base-Base interactions energy: -87.919 where: short stacking energy: -42.635 Base-Backbone interact. energy: -0.163 local terms energy: -56.168103 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -16.992 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -133.573980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.573980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.573980 (E_RNA) where: Base-Base interactions energy: -77.804 where: short stacking energy: -33.575 Base-Backbone interact. energy: -0.217 local terms energy: -55.553398 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -10.213 flat angles C4'-P-C4' energy: -18.127 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -97.405831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.405831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.405831 (E_RNA) where: Base-Base interactions energy: -48.554 where: short stacking energy: -39.103 Base-Backbone interact. energy: -0.086 local terms energy: -48.765578 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.678 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -83.768978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.768978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.768978 (E_RNA) where: Base-Base interactions energy: -29.253 where: short stacking energy: -28.705 Base-Backbone interact. energy: -0.009 local terms energy: -54.507262 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -12.721 tors. eta vs tors. theta energy: -5.556 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: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -191.195289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.195289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.195289 (E_RNA) where: Base-Base interactions energy: -119.707 where: short stacking energy: -62.526 Base-Backbone interact. energy: -0.238 local terms energy: -71.249778 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -18.190 flat angles C4'-P-C4' energy: -15.971 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -12.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -182.005683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.005683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.005683 (E_RNA) where: Base-Base interactions energy: -114.719 where: short stacking energy: -68.910 Base-Backbone interact. energy: 2.468 local terms energy: -69.754378 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -12.397 flat angles P-C4'-P energy: -10.289 tors. eta vs tors. theta energy: -19.591 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: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -169.362724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.362724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.362724 (E_RNA) where: Base-Base interactions energy: -103.338 where: short stacking energy: -47.116 Base-Backbone interact. energy: -0.387 local terms energy: -65.637557 where: bonds (distance) C4'-P energy: -16.102 bonds (distance) P-C4' energy: -16.120 flat angles C4'-P-C4' energy: -15.596 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -160.531085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.531085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.531085 (E_RNA) where: Base-Base interactions energy: -92.571 where: short stacking energy: -51.898 Base-Backbone interact. energy: -0.081 local terms energy: -67.879441 where: bonds (distance) C4'-P energy: -15.812 bonds (distance) P-C4' energy: -17.008 flat angles C4'-P-C4' energy: -15.979 flat angles P-C4'-P energy: -11.476 tors. eta vs tors. theta energy: -7.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -160.612610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.612610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.612610 (E_RNA) where: Base-Base interactions energy: -105.287 where: short stacking energy: -48.761 Base-Backbone interact. energy: -0.586 local terms energy: -54.738759 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -10.093 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: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -169.336371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.336371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.336371 (E_RNA) where: Base-Base interactions energy: -108.827 where: short stacking energy: -48.911 Base-Backbone interact. energy: -0.151 local terms energy: -60.359196 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -15.492 flat angles C4'-P-C4' energy: -9.920 flat angles P-C4'-P energy: -11.131 tors. eta vs tors. theta energy: -11.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -151.536430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.536430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.536430 (E_RNA) where: Base-Base interactions energy: -89.934 where: short stacking energy: -50.375 Base-Backbone interact. energy: -0.113 local terms energy: -61.489950 where: bonds (distance) C4'-P energy: -16.260 bonds (distance) P-C4' energy: -13.724 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -12.254 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: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -146.775036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.775036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.775036 (E_RNA) where: Base-Base interactions energy: -92.122 where: short stacking energy: -47.765 Base-Backbone interact. energy: -0.129 local terms energy: -54.524715 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -12.023 flat angles C4'-P-C4' energy: -9.677 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -9.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -77.538216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.538216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.538216 (E_RNA) where: Base-Base interactions energy: -26.780 where: short stacking energy: -23.827 Base-Backbone interact. energy: -0.355 local terms energy: -50.403628 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: 1.334 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: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -93.348556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.348556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.348556 (E_RNA) where: Base-Base interactions energy: -36.659 where: short stacking energy: -36.612 Base-Backbone interact. energy: -0.114 local terms energy: -56.575570 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -11.721 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -194.341764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.341764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.341764 (E_RNA) where: Base-Base interactions energy: -115.239 where: short stacking energy: -65.051 Base-Backbone interact. energy: -0.081 local terms energy: -79.022156 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -17.619 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -17.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -183.323954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.323954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.323954 (E_RNA) where: Base-Base interactions energy: -114.469 where: short stacking energy: -54.364 Base-Backbone interact. energy: -0.300 local terms energy: -68.554832 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -16.853 flat angles C4'-P-C4' energy: -17.576 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -12.517 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: 9 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -182.999254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.999254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.999254 (E_RNA) where: Base-Base interactions energy: -112.067 where: short stacking energy: -64.477 Base-Backbone interact. energy: -0.079 local terms energy: -70.853477 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -15.136 flat angles P-C4'-P energy: -12.329 tors. eta vs tors. theta energy: -18.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -170.640187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.640187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.640187 (E_RNA) where: Base-Base interactions energy: -104.890 where: short stacking energy: -54.755 Base-Backbone interact. energy: -0.008 local terms energy: -65.742431 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -15.608 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -12.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -165.196470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.196470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.196470 (E_RNA) where: Base-Base interactions energy: -101.351 where: short stacking energy: -53.125 Base-Backbone interact. energy: -0.104 local terms energy: -63.741453 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -14.182 tors. eta vs tors. theta energy: -13.197 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: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -143.278792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.278792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.278792 (E_RNA) where: Base-Base interactions energy: -78.884 where: short stacking energy: -39.520 Base-Backbone interact. energy: 0.314 local terms energy: -64.708267 where: bonds (distance) C4'-P energy: -15.736 bonds (distance) P-C4' energy: -16.479 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -7.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -154.868321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.868321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.868321 (E_RNA) where: Base-Base interactions energy: -94.712 where: short stacking energy: -45.928 Base-Backbone interact. energy: -0.255 local terms energy: -59.901501 where: bonds (distance) C4'-P energy: -6.527 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -16.156 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -148.151660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.151660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.151660 (E_RNA) where: Base-Base interactions energy: -88.652 where: short stacking energy: -49.700 Base-Backbone interact. energy: -0.226 local terms energy: -59.273482 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -10.257 flat angles P-C4'-P energy: -11.282 tors. eta vs tors. theta energy: -11.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -92.467940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.467940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.467940 (E_RNA) where: Base-Base interactions energy: -33.843 where: short stacking energy: -26.527 Base-Backbone interact. energy: -0.167 local terms energy: -58.458352 where: bonds (distance) C4'-P energy: -14.757 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -15.939 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -94.604428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.604428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.604428 (E_RNA) where: Base-Base interactions energy: -40.414 where: short stacking energy: -40.414 Base-Backbone interact. energy: 1.293 local terms energy: -55.483607 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -15.403 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -11.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -196.626397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.626397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.626397 (E_RNA) where: Base-Base interactions energy: -128.751 where: short stacking energy: -65.713 Base-Backbone interact. energy: -0.012 local terms energy: -67.863530 where: bonds (distance) C4'-P energy: -9.598 bonds (distance) P-C4' energy: -16.261 flat angles C4'-P-C4' energy: -17.644 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -17.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -186.330848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.330848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.330848 (E_RNA) where: Base-Base interactions energy: -118.521 where: short stacking energy: -68.752 Base-Backbone interact. energy: -0.051 local terms energy: -67.758462 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -14.936 flat angles C4'-P-C4' energy: -16.874 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -15.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -173.440835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.440835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.440835 (E_RNA) where: Base-Base interactions energy: -105.626 where: short stacking energy: -61.909 Base-Backbone interact. energy: -0.123 local terms energy: -67.692243 where: bonds (distance) C4'-P energy: -9.913 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -14.454 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -14.956 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: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -161.705609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.705609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.705609 (E_RNA) where: Base-Base interactions energy: -90.422 where: short stacking energy: -48.254 Base-Backbone interact. energy: -1.109 local terms energy: -70.174652 where: bonds (distance) C4'-P energy: -15.754 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -11.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -165.712793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.712793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.712793 (E_RNA) where: Base-Base interactions energy: -105.905 where: short stacking energy: -50.639 Base-Backbone interact. energy: -0.220 local terms energy: -59.587501 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -17.273 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -9.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -155.028269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.028269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.028269 (E_RNA) where: Base-Base interactions energy: -97.480 where: short stacking energy: -52.379 Base-Backbone interact. energy: -0.017 local terms energy: -57.530829 where: bonds (distance) C4'-P energy: -14.930 bonds (distance) P-C4' energy: -8.509 flat angles C4'-P-C4' energy: -12.990 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -139.442415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.442415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.442415 (E_RNA) where: Base-Base interactions energy: -83.183 where: short stacking energy: -43.062 Base-Backbone interact. energy: -0.415 local terms energy: -55.844343 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -6.916 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: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -141.043604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.043604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.043604 (E_RNA) where: Base-Base interactions energy: -77.926 where: short stacking energy: -36.230 Base-Backbone interact. energy: -0.213 local terms energy: -62.903727 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -17.713 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -9.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -111.756141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.756141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.756141 (E_RNA) where: Base-Base interactions energy: -60.622 where: short stacking energy: -32.637 Base-Backbone interact. energy: 1.441 local terms energy: -52.574626 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -88.077274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.077274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.077274 (E_RNA) where: Base-Base interactions energy: -33.595 where: short stacking energy: -29.345 Base-Backbone interact. energy: -0.055 local terms energy: -54.427703 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -189.257432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.257432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.257432 (E_RNA) where: Base-Base interactions energy: -113.772 where: short stacking energy: -56.894 Base-Backbone interact. energy: -0.004 local terms energy: -75.482181 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -17.230 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -11.889 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -193.432194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.432194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.432194 (E_RNA) where: Base-Base interactions energy: -116.257 where: short stacking energy: -60.554 Base-Backbone interact. energy: -0.246 local terms energy: -76.929196 where: bonds (distance) C4'-P energy: -16.934 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -12.157 tors. eta vs tors. theta energy: -18.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -180.283896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.283896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.283896 (E_RNA) where: Base-Base interactions energy: -114.114 where: short stacking energy: -54.905 Base-Backbone interact. energy: -0.275 local terms energy: -65.895144 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -15.620 flat angles C4'-P-C4' energy: -15.226 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -164.507255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.507255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.507255 (E_RNA) where: Base-Base interactions energy: -99.811 where: short stacking energy: -56.002 Base-Backbone interact. energy: 0.080 local terms energy: -64.775524 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -16.154 flat angles C4'-P-C4' energy: -17.129 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -10.768 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: 7 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -162.236596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.236596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.236596 (E_RNA) where: Base-Base interactions energy: -98.702 where: short stacking energy: -51.872 Base-Backbone interact. energy: -0.025 local terms energy: -63.509597 where: bonds (distance) C4'-P energy: -14.570 bonds (distance) P-C4' energy: -13.922 flat angles C4'-P-C4' energy: -15.081 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -10.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -152.313617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.313617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.313617 (E_RNA) where: Base-Base interactions energy: -85.018 where: short stacking energy: -44.070 Base-Backbone interact. energy: -0.102 local terms energy: -67.193362 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -17.107 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -8.420 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: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -143.582635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.582635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.582635 (E_RNA) where: Base-Base interactions energy: -89.073 where: short stacking energy: -44.494 Base-Backbone interact. energy: -0.309 local terms energy: -54.200815 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -6.795 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: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -151.663092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.663092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.663092 (E_RNA) where: Base-Base interactions energy: -94.525 where: short stacking energy: -55.324 Base-Backbone interact. energy: -0.060 local terms energy: -57.078559 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -10.153 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -11.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -81.412686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.412686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.412686 (E_RNA) where: Base-Base interactions energy: -32.858 where: short stacking energy: -31.961 Base-Backbone interact. energy: -0.253 local terms energy: -48.302153 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -9.701 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -3.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -79.661206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.661206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.661206 (E_RNA) where: Base-Base interactions energy: -35.107 where: short stacking energy: -35.107 Base-Backbone interact. energy: -0.055 local terms energy: -44.498941 where: bonds (distance) C4'-P energy: -10.477 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -195.054800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.054800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.054800 (E_RNA) where: Base-Base interactions energy: -128.182 where: short stacking energy: -58.736 Base-Backbone interact. energy: -0.250 local terms energy: -66.622733 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -183.719945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.719945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.719945 (E_RNA) where: Base-Base interactions energy: -111.040 where: short stacking energy: -61.980 Base-Backbone interact. energy: -0.021 local terms energy: -72.658404 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -16.180 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -169.471611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.471611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.471611 (E_RNA) where: Base-Base interactions energy: -97.440 where: short stacking energy: -54.953 Base-Backbone interact. energy: -0.057 local terms energy: -71.974296 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -18.454 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -12.165 tors. eta vs tors. theta energy: -13.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -177.742900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.742900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.742900 (E_RNA) where: Base-Base interactions energy: -107.571 where: short stacking energy: -59.970 Base-Backbone interact. energy: -0.045 local terms energy: -70.126752 where: bonds (distance) C4'-P energy: -14.483 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -11.612 tors. eta vs tors. theta energy: -16.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -157.979278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.979278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.979278 (E_RNA) where: Base-Base interactions energy: -99.862 where: short stacking energy: -44.409 Base-Backbone interact. energy: 1.008 local terms energy: -59.125479 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -15.690 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -9.677 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: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -159.320801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.320801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.320801 (E_RNA) where: Base-Base interactions energy: -89.850 where: short stacking energy: -49.951 Base-Backbone interact. energy: -0.101 local terms energy: -69.370200 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -16.870 flat angles P-C4'-P energy: -12.028 tors. eta vs tors. theta energy: -10.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -151.211805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.211805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.211805 (E_RNA) where: Base-Base interactions energy: -92.232 where: short stacking energy: -32.922 Base-Backbone interact. energy: -0.132 local terms energy: -58.847480 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -154.394711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.394711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.394711 (E_RNA) where: Base-Base interactions energy: -98.668 where: short stacking energy: -56.828 Base-Backbone interact. energy: -0.002 local terms energy: -55.724915 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -12.639 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -13.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -84.337857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.337857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.337857 (E_RNA) where: Base-Base interactions energy: -43.953 where: short stacking energy: -26.938 Base-Backbone interact. energy: -0.278 local terms energy: -40.106364 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -15.482 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -79.833744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.833744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.833744 (E_RNA) where: Base-Base interactions energy: -27.799 where: short stacking energy: -26.548 Base-Backbone interact. energy: -0.317 local terms energy: -51.717685 where: bonds (distance) C4'-P energy: -13.266 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -186.492110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.492110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.492110 (E_RNA) where: Base-Base interactions energy: -120.878 where: short stacking energy: -60.743 Base-Backbone interact. energy: -0.022 local terms energy: -65.591830 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -17.700 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -191.873565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.873565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.873565 (E_RNA) where: Base-Base interactions energy: -120.692 where: short stacking energy: -64.733 Base-Backbone interact. energy: -0.692 local terms energy: -70.489546 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -13.115 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -175.472063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.472063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.472063 (E_RNA) where: Base-Base interactions energy: -98.930 where: short stacking energy: -56.932 Base-Backbone interact. energy: -0.002 local terms energy: -76.540873 where: bonds (distance) C4'-P energy: -15.436 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -16.971 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: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -167.430562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.430562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.430562 (E_RNA) where: Base-Base interactions energy: -109.406 where: short stacking energy: -45.493 Base-Backbone interact. energy: -0.661 local terms energy: -57.363487 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -3.243 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: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -172.432727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.432727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.432727 (E_RNA) where: Base-Base interactions energy: -104.199 where: short stacking energy: -56.451 Base-Backbone interact. energy: -0.044 local terms energy: -68.189601 where: bonds (distance) C4'-P energy: -14.575 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -16.663 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -150.387495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.387495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.387495 (E_RNA) where: Base-Base interactions energy: -85.260 where: short stacking energy: -37.280 Base-Backbone interact. energy: -0.125 local terms energy: -65.002676 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -16.460 flat angles P-C4'-P energy: -11.091 tors. eta vs tors. theta energy: -9.074 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: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -174.236609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.236609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.236609 (E_RNA) where: Base-Base interactions energy: -101.405 where: short stacking energy: -60.765 Base-Backbone interact. energy: -0.023 local terms energy: -72.808783 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -15.581 flat angles P-C4'-P energy: -13.129 tors. eta vs tors. theta energy: -19.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -143.986632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.986632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.986632 (E_RNA) where: Base-Base interactions energy: -88.008 where: short stacking energy: -31.699 Base-Backbone interact. energy: -0.099 local terms energy: -55.879198 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -77.650722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.650722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.650722 (E_RNA) where: Base-Base interactions energy: -30.955 where: short stacking energy: -25.612 Base-Backbone interact. energy: -0.067 local terms energy: -46.628988 where: bonds (distance) C4'-P energy: -9.387 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -80.957872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.957872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.957872 (E_RNA) where: Base-Base interactions energy: -33.771 where: short stacking energy: -33.771 Base-Backbone interact. energy: -0.045 local terms energy: -47.141956 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -14.752 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -3.945 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: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -193.133930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.133930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.133930 (E_RNA) where: Base-Base interactions energy: -118.533 where: short stacking energy: -63.094 Base-Backbone interact. energy: -0.057 local terms energy: -74.544040 where: bonds (distance) C4'-P energy: -16.847 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -16.369 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -17.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -184.587272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.587272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.587272 (E_RNA) where: Base-Base interactions energy: -113.365 where: short stacking energy: -68.518 Base-Backbone interact. energy: -0.072 local terms energy: -71.150594 where: bonds (distance) C4'-P energy: -16.271 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -16.031 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -14.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -173.226339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.226339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.226339 (E_RNA) where: Base-Base interactions energy: -101.378 where: short stacking energy: -50.439 Base-Backbone interact. energy: -0.148 local terms energy: -71.700929 where: bonds (distance) C4'-P energy: -15.327 bonds (distance) P-C4' energy: -14.471 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -16.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -169.051394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.051394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.051394 (E_RNA) where: Base-Base interactions energy: -104.446 where: short stacking energy: -64.349 Base-Backbone interact. energy: -0.171 local terms energy: -64.434004 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -17.136 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -16.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -163.895030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.895030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.895030 (E_RNA) where: Base-Base interactions energy: -106.522 where: short stacking energy: -59.929 Base-Backbone interact. energy: -0.449 local terms energy: -56.923706 where: bonds (distance) C4'-P energy: -9.500 bonds (distance) P-C4' energy: -12.739 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -12.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -158.646372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.646372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.646372 (E_RNA) where: Base-Base interactions energy: -94.038 where: short stacking energy: -46.129 Base-Backbone interact. energy: -0.314 local terms energy: -64.293827 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -16.050 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -16.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -146.688588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.688588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.688588 (E_RNA) where: Base-Base interactions energy: -86.555 where: short stacking energy: -47.009 Base-Backbone interact. energy: -0.301 local terms energy: -59.833078 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -18.246 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -143.225196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.225196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.225196 (E_RNA) where: Base-Base interactions energy: -91.087 where: short stacking energy: -48.056 Base-Backbone interact. energy: 1.103 local terms energy: -53.241178 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -79.546808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.546808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.546808 (E_RNA) where: Base-Base interactions energy: -24.077 where: short stacking energy: -24.077 Base-Backbone interact. energy: -0.071 local terms energy: -55.398938 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -5.727 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: 10, replica: 3 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -91.358751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.358751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.358751 (E_RNA) where: Base-Base interactions energy: -35.092 where: short stacking energy: -33.020 Base-Backbone interact. energy: -0.599 local terms energy: -55.667802 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -15.271 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -189.827379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.827379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.827379 (E_RNA) where: Base-Base interactions energy: -114.920 where: short stacking energy: -67.980 Base-Backbone interact. energy: 0.157 local terms energy: -75.065231 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -13.463 flat angles C4'-P-C4' energy: -17.428 flat angles P-C4'-P energy: -12.724 tors. eta vs tors. theta energy: -17.239 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: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -178.916738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.916738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.916738 (E_RNA) where: Base-Base interactions energy: -113.896 where: short stacking energy: -61.257 Base-Backbone interact. energy: -0.017 local terms energy: -65.003724 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -16.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -165.118972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.118972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.118972 (E_RNA) where: Base-Base interactions energy: -108.230 where: short stacking energy: -56.061 Base-Backbone interact. energy: -0.212 local terms energy: -56.676868 where: bonds (distance) C4'-P energy: -9.659 bonds (distance) P-C4' energy: -17.696 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -9.771 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: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -178.565839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.565839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.565839 (E_RNA) where: Base-Base interactions energy: -108.493 where: short stacking energy: -61.509 Base-Backbone interact. energy: -0.070 local terms energy: -70.001871 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -15.170 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -16.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -148.951554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.951554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.951554 (E_RNA) where: Base-Base interactions energy: -100.750 where: short stacking energy: -35.396 Base-Backbone interact. energy: -0.307 local terms energy: -47.895111 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -159.179718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.179718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.179718 (E_RNA) where: Base-Base interactions energy: -91.722 where: short stacking energy: -44.929 Base-Backbone interact. energy: -0.043 local terms energy: -67.415411 where: bonds (distance) C4'-P energy: -16.032 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -16.060 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: -12.152 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: 118 Temperature: 1.200000 Total energy: -148.390989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.390989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.390989 (E_RNA) where: Base-Base interactions energy: -84.763 where: short stacking energy: -39.708 Base-Backbone interact. energy: -0.136 local terms energy: -63.491820 where: bonds (distance) C4'-P energy: -15.067 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -11.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -141.765260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.765260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.765260 (E_RNA) where: Base-Base interactions energy: -88.195 where: short stacking energy: -41.018 Base-Backbone interact. energy: -0.202 local terms energy: -53.367933 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -14.936 flat angles C4'-P-C4' energy: -9.669 flat angles P-C4'-P energy: -11.164 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -85.923605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.923605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.923605 (E_RNA) where: Base-Base interactions energy: -35.700 where: short stacking energy: -35.700 Base-Backbone interact. energy: -0.052 local terms energy: -50.171221 where: bonds (distance) C4'-P energy: -10.456 bonds (distance) P-C4' energy: -5.044 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -11.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -77.554840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.554840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.554840 (E_RNA) where: Base-Base interactions energy: -25.856 where: short stacking energy: -23.412 Base-Backbone interact. energy: -0.663 local terms energy: -51.035921 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -11.806 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -192.454836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.454836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.454836 (E_RNA) where: Base-Base interactions energy: -114.781 where: short stacking energy: -68.505 Base-Backbone interact. energy: -0.003 local terms energy: -77.670797 where: bonds (distance) C4'-P energy: -15.896 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -17.953 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -19.174 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: 119 Temperature: 0.950000 Total energy: -196.868224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.868224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.868224 (E_RNA) where: Base-Base interactions energy: -118.565 where: short stacking energy: -67.298 Base-Backbone interact. energy: -0.019 local terms energy: -78.284512 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -17.746 flat angles C4'-P-C4' energy: -14.130 flat angles P-C4'-P energy: -13.033 tors. eta vs tors. theta energy: -18.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -183.937157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.937157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.937157 (E_RNA) where: Base-Base interactions energy: -114.526 where: short stacking energy: -56.174 Base-Backbone interact. energy: -0.084 local terms energy: -69.327397 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -15.008 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -13.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -164.831819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.831819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.831819 (E_RNA) where: Base-Base interactions energy: -102.084 where: short stacking energy: -64.953 Base-Backbone interact. energy: -0.062 local terms energy: -62.686503 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -10.469 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -19.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -157.677286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.677286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.677286 (E_RNA) where: Base-Base interactions energy: -95.203 where: short stacking energy: -54.558 Base-Backbone interact. energy: -0.127 local terms energy: -62.347375 where: bonds (distance) C4'-P energy: -17.444 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -10.973 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -165.084203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.084203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.084203 (E_RNA) where: Base-Base interactions energy: -97.861 where: short stacking energy: -59.960 Base-Backbone interact. energy: -0.078 local terms energy: -67.145233 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -16.047 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: 119 Temperature: 1.200000 Total energy: -147.038182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.038182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.038182 (E_RNA) where: Base-Base interactions energy: -81.181 where: short stacking energy: -36.154 Base-Backbone interact. energy: -0.179 local terms energy: -65.678437 where: bonds (distance) C4'-P energy: -17.159 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -17.453 flat angles P-C4'-P energy: -10.774 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -143.534073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.534073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.534073 (E_RNA) where: Base-Base interactions energy: -96.552 where: short stacking energy: -49.236 Base-Backbone interact. energy: -0.081 local terms energy: -46.901268 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -8.664 flat angles C4'-P-C4' energy: -10.867 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -9.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -91.581805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.581805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.581805 (E_RNA) where: Base-Base interactions energy: -39.719 where: short stacking energy: -38.380 Base-Backbone interact. energy: -0.152 local terms energy: -51.709825 where: bonds (distance) C4'-P energy: -9.746 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -10.497 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -9.639 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: 119 Temperature: 1.350000 Total energy: -80.373805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.373805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.373805 (E_RNA) where: Base-Base interactions energy: -39.482 where: short stacking energy: -39.482 Base-Backbone interact. energy: -0.109 local terms energy: -40.783125 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -9.357 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -191.414296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.414296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.414296 (E_RNA) where: Base-Base interactions energy: -112.809 where: short stacking energy: -70.531 Base-Backbone interact. energy: -0.229 local terms energy: -78.376730 where: bonds (distance) C4'-P energy: -17.774 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -11.159 tors. eta vs tors. theta energy: -19.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -193.596793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.596793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.596793 (E_RNA) where: Base-Base interactions energy: -120.311 where: short stacking energy: -72.211 Base-Backbone interact. energy: -0.033 local terms energy: -73.252412 where: bonds (distance) C4'-P energy: -14.949 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -16.296 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -16.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -174.328065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.328065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.328065 (E_RNA) where: Base-Base interactions energy: -106.514 where: short stacking energy: -64.623 Base-Backbone interact. energy: -0.164 local terms energy: -67.649850 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -12.865 flat angles C4'-P-C4' energy: -16.048 flat angles P-C4'-P energy: -8.876 tors. eta vs tors. theta energy: -16.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -171.938535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.938535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.938535 (E_RNA) where: Base-Base interactions energy: -102.759 where: short stacking energy: -51.381 Base-Backbone interact. energy: -0.362 local terms energy: -68.817350 where: bonds (distance) C4'-P energy: -17.431 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -16.501 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -12.546 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: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -163.789552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.789552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.789552 (E_RNA) where: Base-Base interactions energy: -101.541 where: short stacking energy: -55.177 Base-Backbone interact. energy: -0.134 local terms energy: -62.114748 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -14.845 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -9.302 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: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -159.789913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.789913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.789913 (E_RNA) where: Base-Base interactions energy: -93.559 where: short stacking energy: -48.494 Base-Backbone interact. energy: -0.202 local terms energy: -66.028497 where: bonds (distance) C4'-P energy: -16.305 bonds (distance) P-C4' energy: -13.692 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -148.045477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.045477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.045477 (E_RNA) where: Base-Base interactions energy: -89.047 where: short stacking energy: -44.611 Base-Backbone interact. energy: -0.199 local terms energy: -58.799479 where: bonds (distance) C4'-P energy: -10.402 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -9.746 flat angles P-C4'-P energy: -12.540 tors. eta vs tors. theta energy: -9.241 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: 120 Temperature: 1.250000 Total energy: -149.124078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.124078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.124078 (E_RNA) where: Base-Base interactions energy: -89.772 where: short stacking energy: -44.354 Base-Backbone interact. energy: -0.528 local terms energy: -58.824171 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -10.381 flat angles C4'-P-C4' energy: -16.860 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -91.438881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.438881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.438881 (E_RNA) where: Base-Base interactions energy: -44.199 where: short stacking energy: -37.303 Base-Backbone interact. energy: -0.102 local terms energy: -47.137892 where: bonds (distance) C4'-P energy: -10.107 bonds (distance) P-C4' energy: -8.950 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: -7.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -83.362481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.362481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.362481 (E_RNA) where: Base-Base interactions energy: -41.058 where: short stacking energy: -40.444 Base-Backbone interact. energy: -0.348 local terms energy: -41.956099 where: bonds (distance) C4'-P energy: -8.349 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -6.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -195.914964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.914964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.914964 (E_RNA) where: Base-Base interactions energy: -117.041 where: short stacking energy: -75.093 Base-Backbone interact. energy: -0.017 local terms energy: -78.857073 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -16.094 flat angles C4'-P-C4' energy: -17.062 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -20.984 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: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -200.492729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.492729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.492729 (E_RNA) where: Base-Base interactions energy: -123.556 where: short stacking energy: -74.657 Base-Backbone interact. energy: 0.619 local terms energy: -77.555828 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -15.862 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -19.944 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: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -180.211152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.211152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.211152 (E_RNA) where: Base-Base interactions energy: -111.536 where: short stacking energy: -61.075 Base-Backbone interact. energy: -0.121 local terms energy: -68.554120 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -17.340 flat angles C4'-P-C4' energy: -17.522 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -174.043982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.043982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.043982 (E_RNA) where: Base-Base interactions energy: -105.064 where: short stacking energy: -60.021 Base-Backbone interact. energy: -0.040 local terms energy: -68.940286 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -15.275 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -17.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -165.669077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.669077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.669077 (E_RNA) where: Base-Base interactions energy: -92.780 where: short stacking energy: -49.207 Base-Backbone interact. energy: -0.013 local terms energy: -72.876421 where: bonds (distance) C4'-P energy: -16.570 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -17.403 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -13.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -155.305439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.305439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.305439 (E_RNA) where: Base-Base interactions energy: -92.540 where: short stacking energy: -47.077 Base-Backbone interact. energy: -0.184 local terms energy: -62.580843 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -15.124 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -8.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -153.336276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.336276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.336276 (E_RNA) where: Base-Base interactions energy: -91.020 where: short stacking energy: -50.263 Base-Backbone interact. energy: -0.185 local terms energy: -62.130584 where: bonds (distance) C4'-P energy: -16.115 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -12.971 tors. eta vs tors. theta energy: -7.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -154.477722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.477722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.477722 (E_RNA) where: Base-Base interactions energy: -88.551 where: short stacking energy: -45.077 Base-Backbone interact. energy: -0.026 local terms energy: -65.900393 where: bonds (distance) C4'-P energy: -16.280 bonds (distance) P-C4' energy: -13.563 flat angles C4'-P-C4' energy: -15.665 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -10.327 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: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -96.788795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.788795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.788795 (E_RNA) where: Base-Base interactions energy: -42.833 where: short stacking energy: -29.109 Base-Backbone interact. energy: -0.151 local terms energy: -53.804655 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -14.282 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -3.933 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: 3 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -73.765402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.765402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.765402 (E_RNA) where: Base-Base interactions energy: -27.530 where: short stacking energy: -23.311 Base-Backbone interact. energy: 0.601 local terms energy: -46.835881 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -9.758 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -192.350156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.350156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.350156 (E_RNA) where: Base-Base interactions energy: -117.513 where: short stacking energy: -72.864 Base-Backbone interact. energy: -0.055 local terms energy: -74.781967 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -21.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -179.957436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.957436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.957436 (E_RNA) where: Base-Base interactions energy: -109.596 where: short stacking energy: -62.654 Base-Backbone interact. energy: -0.109 local terms energy: -70.252722 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -16.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -170.794465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.794465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.794465 (E_RNA) where: Base-Base interactions energy: -101.085 where: short stacking energy: -57.203 Base-Backbone interact. energy: -0.234 local terms energy: -69.475708 where: bonds (distance) C4'-P energy: -14.339 bonds (distance) P-C4' energy: -18.461 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -7.653 tors. eta vs tors. theta energy: -13.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -169.813473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.813473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.813473 (E_RNA) where: Base-Base interactions energy: -102.564 where: short stacking energy: -55.095 Base-Backbone interact. energy: -0.015 local terms energy: -67.234394 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -10.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -166.287222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.287222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.287222 (E_RNA) where: Base-Base interactions energy: -100.085 where: short stacking energy: -60.943 Base-Backbone interact. energy: 0.007 local terms energy: -66.209192 where: bonds (distance) C4'-P energy: -14.894 bonds (distance) P-C4' energy: -17.461 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -12.746 tors. eta vs tors. theta energy: -10.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -144.123980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.123980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.123980 (E_RNA) where: Base-Base interactions energy: -93.539 where: short stacking energy: -47.549 Base-Backbone interact. energy: -0.353 local terms energy: -50.231796 where: bonds (distance) C4'-P energy: -10.799 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -148.494674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.494674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.494674 (E_RNA) where: Base-Base interactions energy: -93.545 where: short stacking energy: -48.979 Base-Backbone interact. energy: -0.128 local terms energy: -54.822071 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -141.806774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.806774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.806774 (E_RNA) where: Base-Base interactions energy: -89.186 where: short stacking energy: -45.673 Base-Backbone interact. energy: -0.060 local terms energy: -52.561100 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -8.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -98.631337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.631337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.631337 (E_RNA) where: Base-Base interactions energy: -44.640 where: short stacking energy: -34.428 Base-Backbone interact. energy: 0.910 local terms energy: -54.900569 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -15.197 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -7.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -78.331635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.331635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.331635 (E_RNA) where: Base-Base interactions energy: -32.960 where: short stacking energy: -31.733 Base-Backbone interact. energy: -0.038 local terms energy: -45.333763 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -1.039 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: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -187.491712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.491712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.491712 (E_RNA) where: Base-Base interactions energy: -108.621 where: short stacking energy: -65.099 Base-Backbone interact. energy: -0.114 local terms energy: -78.757146 where: bonds (distance) C4'-P energy: -15.793 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -17.680 flat angles P-C4'-P energy: -10.267 tors. eta vs tors. theta energy: -19.243 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: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -187.249870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.249870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.249870 (E_RNA) where: Base-Base interactions energy: -116.672 where: short stacking energy: -64.844 Base-Backbone interact. energy: -0.383 local terms energy: -70.194167 where: bonds (distance) C4'-P energy: -13.242 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -19.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -182.012549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.012549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.012549 (E_RNA) where: Base-Base interactions energy: -113.312 where: short stacking energy: -68.945 Base-Backbone interact. energy: -0.009 local terms energy: -68.691528 where: bonds (distance) C4'-P energy: -8.000 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -15.460 flat angles P-C4'-P energy: -13.424 tors. eta vs tors. theta energy: -15.264 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: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -174.475317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.475317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.475317 (E_RNA) where: Base-Base interactions energy: -104.560 where: short stacking energy: -62.963 Base-Backbone interact. energy: 0.073 local terms energy: -69.988433 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -15.797 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -166.534833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.534833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.534833 (E_RNA) where: Base-Base interactions energy: -104.225 where: short stacking energy: -57.732 Base-Backbone interact. energy: -0.066 local terms energy: -62.243491 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -11.988 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -11.644 tors. eta vs tors. theta energy: -11.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -147.183077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.183077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.183077 (E_RNA) where: Base-Base interactions energy: -88.256 where: short stacking energy: -41.446 Base-Backbone interact. energy: -0.787 local terms energy: -58.140018 where: bonds (distance) C4'-P energy: -10.727 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -16.294 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -7.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -146.415971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.415971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.415971 (E_RNA) where: Base-Base interactions energy: -88.707 where: short stacking energy: -39.286 Base-Backbone interact. energy: -0.092 local terms energy: -57.617403 where: bonds (distance) C4'-P energy: -12.165 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -8.179 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: 123 Temperature: 1.250000 Total energy: -142.025887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.025887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.025887 (E_RNA) where: Base-Base interactions energy: -81.356 where: short stacking energy: -36.153 Base-Backbone interact. energy: -0.112 local terms energy: -60.557411 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -17.316 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -12.373 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -97.457091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.457091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.457091 (E_RNA) where: Base-Base interactions energy: -56.885 where: short stacking energy: -26.201 Base-Backbone interact. energy: -0.026 local terms energy: -40.545976 where: bonds (distance) C4'-P energy: -9.428 bonds (distance) P-C4' energy: -15.485 flat angles C4'-P-C4' energy: -10.288 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -82.934037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.934037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.934037 (E_RNA) where: Base-Base interactions energy: -27.865 where: short stacking energy: -25.702 Base-Backbone interact. energy: -0.763 local terms energy: -54.305302 where: bonds (distance) C4'-P energy: -15.204 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -5.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -191.384940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.384940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.384940 (E_RNA) where: Base-Base interactions energy: -112.143 where: short stacking energy: -67.344 Base-Backbone interact. energy: -0.075 local terms energy: -79.167348 where: bonds (distance) C4'-P energy: -16.596 bonds (distance) P-C4' energy: -16.142 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -14.290 tors. eta vs tors. theta energy: -19.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -192.597620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.597620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.597620 (E_RNA) where: Base-Base interactions energy: -114.740 where: short stacking energy: -70.997 Base-Backbone interact. energy: -0.044 local terms energy: -77.813334 where: bonds (distance) C4'-P energy: -14.760 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -17.363 flat angles P-C4'-P energy: -13.155 tors. eta vs tors. theta energy: -18.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -175.584546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.584546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.584546 (E_RNA) where: Base-Base interactions energy: -106.689 where: short stacking energy: -63.441 Base-Backbone interact. energy: -0.095 local terms energy: -68.799741 where: bonds (distance) C4'-P energy: -16.048 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -15.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -171.350066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.350066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.350066 (E_RNA) where: Base-Base interactions energy: -111.870 where: short stacking energy: -54.285 Base-Backbone interact. energy: -0.129 local terms energy: -59.351750 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -13.752 flat angles C4'-P-C4' energy: -16.283 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -13.000 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: 7 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -157.433722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.433722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.433722 (E_RNA) where: Base-Base interactions energy: -96.311 where: short stacking energy: -53.843 Base-Backbone interact. energy: -0.212 local terms energy: -60.910462 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -17.029 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -13.385 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: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -161.062848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.062848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.062848 (E_RNA) where: Base-Base interactions energy: -96.143 where: short stacking energy: -54.441 Base-Backbone interact. energy: -0.017 local terms energy: -64.903049 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -11.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -160.919641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.919641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.919641 (E_RNA) where: Base-Base interactions energy: -92.829 where: short stacking energy: -49.417 Base-Backbone interact. energy: -0.048 local terms energy: -68.042192 where: bonds (distance) C4'-P energy: -16.111 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -16.754 flat angles P-C4'-P energy: -7.118 tors. eta vs tors. theta energy: -10.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -137.877181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.877181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.877181 (E_RNA) where: Base-Base interactions energy: -76.921 where: short stacking energy: -36.354 Base-Backbone interact. energy: -0.270 local terms energy: -60.686249 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -15.936 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -7.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -80.680218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.680218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.680218 (E_RNA) where: Base-Base interactions energy: -30.975 where: short stacking energy: -23.121 Base-Backbone interact. energy: -0.187 local terms energy: -49.517794 where: bonds (distance) C4'-P energy: -16.405 bonds (distance) P-C4' energy: -13.728 flat angles C4'-P-C4' energy: -11.215 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -85.738995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.738995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.738995 (E_RNA) where: Base-Base interactions energy: -27.779 where: short stacking energy: -27.779 Base-Backbone interact. energy: -0.070 local terms energy: -57.890039 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -13.999 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -197.683553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.683553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.683553 (E_RNA) where: Base-Base interactions energy: -116.106 where: short stacking energy: -67.341 Base-Backbone interact. energy: 0.127 local terms energy: -81.704080 where: bonds (distance) C4'-P energy: -16.156 bonds (distance) P-C4' energy: -17.013 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -12.689 tors. eta vs tors. theta energy: -20.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -205.270428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.270428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.270428 (E_RNA) where: Base-Base interactions energy: -136.393 where: short stacking energy: -63.866 Base-Backbone interact. energy: -0.292 local terms energy: -68.585065 where: bonds (distance) C4'-P energy: -15.606 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -13.395 tors. eta vs tors. theta energy: -11.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -170.057379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.057379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.057379 (E_RNA) where: Base-Base interactions energy: -99.240 where: short stacking energy: -56.964 Base-Backbone interact. energy: -0.217 local terms energy: -70.600850 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -14.605 tors. eta vs tors. theta energy: -12.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -154.458982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.458982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.458982 (E_RNA) where: Base-Base interactions energy: -94.526 where: short stacking energy: -48.605 Base-Backbone interact. energy: -0.208 local terms energy: -59.724796 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -11.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -164.550944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.550944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.550944 (E_RNA) where: Base-Base interactions energy: -98.058 where: short stacking energy: -56.217 Base-Backbone interact. energy: -0.024 local terms energy: -66.468886 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -12.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -156.774775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.774775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.774775 (E_RNA) where: Base-Base interactions energy: -100.591 where: short stacking energy: -47.617 Base-Backbone interact. energy: -0.081 local terms energy: -56.103425 where: bonds (distance) C4'-P energy: -10.174 bonds (distance) P-C4' energy: -16.905 flat angles C4'-P-C4' energy: -16.434 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -6.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -153.793501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.793501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.793501 (E_RNA) where: Base-Base interactions energy: -88.343 where: short stacking energy: -51.016 Base-Backbone interact. energy: 0.794 local terms energy: -66.244723 where: bonds (distance) C4'-P energy: -16.748 bonds (distance) P-C4' energy: -10.310 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -150.476117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.476117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.476117 (E_RNA) where: Base-Base interactions energy: -90.733 where: short stacking energy: -47.983 Base-Backbone interact. energy: -0.093 local terms energy: -59.650522 where: bonds (distance) C4'-P energy: -15.184 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -13.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -76.910265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.910265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.910265 (E_RNA) where: Base-Base interactions energy: -29.590 where: short stacking energy: -29.590 Base-Backbone interact. energy: 0.415 local terms energy: -47.734899 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -17.703 flat angles C4'-P-C4' energy: -8.960 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: 1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -79.576182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.576182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.576182 (E_RNA) where: Base-Base interactions energy: -32.339 where: short stacking energy: -28.672 Base-Backbone interact. energy: 1.066 local terms energy: -48.302525 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -8.848 tors. eta vs tors. theta energy: -0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -200.814967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.814967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.814967 (E_RNA) where: Base-Base interactions energy: -127.748 where: short stacking energy: -53.953 Base-Backbone interact. energy: -0.148 local terms energy: -72.918717 where: bonds (distance) C4'-P energy: -15.742 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -13.821 tors. eta vs tors. theta energy: -11.953 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: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -194.166093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.166093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.166093 (E_RNA) where: Base-Base interactions energy: -119.367 where: short stacking energy: -77.755 Base-Backbone interact. energy: -0.086 local terms energy: -74.713056 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -16.071 flat angles C4'-P-C4' energy: -18.759 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -177.210919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.210919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.210919 (E_RNA) where: Base-Base interactions energy: -106.934 where: short stacking energy: -66.740 Base-Backbone interact. energy: -0.753 local terms energy: -69.523342 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -17.139 flat angles C4'-P-C4' energy: -16.536 flat angles P-C4'-P energy: -12.050 tors. eta vs tors. theta energy: -11.927 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: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -162.957676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.957676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.957676 (E_RNA) where: Base-Base interactions energy: -96.689 where: short stacking energy: -54.409 Base-Backbone interact. energy: -0.042 local terms energy: -66.227129 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -15.271 flat angles P-C4'-P energy: -12.506 tors. eta vs tors. theta energy: -11.659 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: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -152.470362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.470362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.470362 (E_RNA) where: Base-Base interactions energy: -86.945 where: short stacking energy: -41.015 Base-Backbone interact. energy: -0.124 local terms energy: -65.401044 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -15.813 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -10.816 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: 126 Temperature: 1.150000 Total energy: -159.487054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.487054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.487054 (E_RNA) where: Base-Base interactions energy: -99.500 where: short stacking energy: -53.651 Base-Backbone interact. energy: -0.049 local terms energy: -59.937635 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -151.520056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.520056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.520056 (E_RNA) where: Base-Base interactions energy: -87.997 where: short stacking energy: -48.909 Base-Backbone interact. energy: -0.002 local terms energy: -63.520740 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -15.250 flat angles C4'-P-C4' energy: -11.520 flat angles P-C4'-P energy: -12.183 tors. eta vs tors. theta energy: -11.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -144.723279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.723279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.723279 (E_RNA) where: Base-Base interactions energy: -84.787 where: short stacking energy: -44.529 Base-Backbone interact. energy: -0.173 local terms energy: -59.763288 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -11.170 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -77.456305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.456305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.456305 (E_RNA) where: Base-Base interactions energy: -32.726 where: short stacking energy: -30.460 Base-Backbone interact. energy: -0.038 local terms energy: -44.691955 where: bonds (distance) C4'-P energy: -15.593 bonds (distance) P-C4' energy: -15.627 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -78.322018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.322018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.322018 (E_RNA) where: Base-Base interactions energy: -31.673 where: short stacking energy: -20.555 Base-Backbone interact. energy: -0.004 local terms energy: -46.645058 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -18.616 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -199.698874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.698874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.698874 (E_RNA) where: Base-Base interactions energy: -130.587 where: short stacking energy: -65.343 Base-Backbone interact. energy: -1.317 local terms energy: -67.795015 where: bonds (distance) C4'-P energy: -13.170 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -16.967 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -12.867 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: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -197.327001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.327001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.327001 (E_RNA) where: Base-Base interactions energy: -133.006 where: short stacking energy: -63.279 Base-Backbone interact. energy: -0.585 local terms energy: -63.735600 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -10.626 flat angles C4'-P-C4' energy: -15.346 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -16.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -184.994985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.994985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.994985 (E_RNA) where: Base-Base interactions energy: -118.799 where: short stacking energy: -55.404 Base-Backbone interact. energy: -0.282 local terms energy: -65.913644 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -16.697 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -11.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -170.854890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.854890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.854890 (E_RNA) where: Base-Base interactions energy: -102.551 where: short stacking energy: -51.360 Base-Backbone interact. energy: -0.006 local terms energy: -68.298012 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -16.563 flat angles C4'-P-C4' energy: -14.271 flat angles P-C4'-P energy: -7.345 tors. eta vs tors. theta energy: -15.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -159.524191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.524191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.524191 (E_RNA) where: Base-Base interactions energy: -85.133 where: short stacking energy: -45.715 Base-Backbone interact. energy: -0.705 local terms energy: -73.685407 where: bonds (distance) C4'-P energy: -15.079 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -12.970 tors. eta vs tors. theta energy: -13.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -153.772535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.772535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.772535 (E_RNA) where: Base-Base interactions energy: -89.327 where: short stacking energy: -43.705 Base-Backbone interact. energy: 0.048 local terms energy: -64.493169 where: bonds (distance) C4'-P energy: -15.183 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -12.881 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -9.124 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: 127 Temperature: 1.200000 Total energy: -158.525287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.525287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.525287 (E_RNA) where: Base-Base interactions energy: -97.371 where: short stacking energy: -53.759 Base-Backbone interact. energy: -0.030 local terms energy: -61.124206 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -17.369 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -10.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -153.780081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.780081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.780081 (E_RNA) where: Base-Base interactions energy: -95.739 where: short stacking energy: -51.494 Base-Backbone interact. energy: -0.449 local terms energy: -57.592403 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -10.571 flat angles C4'-P-C4' energy: -14.606 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -84.825670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.825670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.825670 (E_RNA) where: Base-Base interactions energy: -32.203 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.178 local terms energy: -52.445176 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -90.220547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.220547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.220547 (E_RNA) where: Base-Base interactions energy: -39.544 where: short stacking energy: -28.170 Base-Backbone interact. energy: -0.038 local terms energy: -50.638300 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -211.924523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.924523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.924523 (E_RNA) where: Base-Base interactions energy: -139.613 where: short stacking energy: -68.582 Base-Backbone interact. energy: 0.244 local terms energy: -72.555004 where: bonds (distance) C4'-P energy: -15.134 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -17.211 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: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -190.320977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.320977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.320977 (E_RNA) where: Base-Base interactions energy: -118.044 where: short stacking energy: -61.139 Base-Backbone interact. energy: -0.277 local terms energy: -72.000530 where: bonds (distance) C4'-P energy: -15.974 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -11.736 tors. eta vs tors. theta energy: -12.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -176.900070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.900070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.900070 (E_RNA) where: Base-Base interactions energy: -113.131 where: short stacking energy: -47.980 Base-Backbone interact. energy: -0.209 local terms energy: -63.559665 where: bonds (distance) C4'-P energy: -18.048 bonds (distance) P-C4' energy: -10.160 flat angles C4'-P-C4' energy: -17.868 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -11.433 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: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -159.144985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.144985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.144985 (E_RNA) where: Base-Base interactions energy: -104.768 where: short stacking energy: -51.098 Base-Backbone interact. energy: 0.388 local terms energy: -54.764822 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -15.747 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -8.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -161.726454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.726454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.726454 (E_RNA) where: Base-Base interactions energy: -103.510 where: short stacking energy: -55.784 Base-Backbone interact. energy: 1.179 local terms energy: -59.395555 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -13.288 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -8.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -157.017657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.017657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.017657 (E_RNA) where: Base-Base interactions energy: -94.313 where: short stacking energy: -50.759 Base-Backbone interact. energy: -0.049 local terms energy: -62.655679 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -13.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -161.049070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.049070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.049070 (E_RNA) where: Base-Base interactions energy: -97.952 where: short stacking energy: -58.211 Base-Backbone interact. energy: -0.082 local terms energy: -63.015506 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -13.746 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: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -148.872691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.872691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.872691 (E_RNA) where: Base-Base interactions energy: -89.653 where: short stacking energy: -39.500 Base-Backbone interact. energy: -0.170 local terms energy: -59.049228 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -12.304 tors. eta vs tors. theta energy: -4.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -91.378766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.378766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.378766 (E_RNA) where: Base-Base interactions energy: -41.066 where: short stacking energy: -41.066 Base-Backbone interact. energy: 0.349 local terms energy: -50.661712 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -10.504 flat angles C4'-P-C4' energy: -14.470 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -9.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -77.522553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.522553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.522553 (E_RNA) where: Base-Base interactions energy: -32.124 where: short stacking energy: -31.467 Base-Backbone interact. energy: -0.128 local terms energy: -45.270901 where: bonds (distance) C4'-P energy: -10.051 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -210.447926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.447926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.447926 (E_RNA) where: Base-Base interactions energy: -139.727 where: short stacking energy: -65.707 Base-Backbone interact. energy: -0.263 local terms energy: -70.458327 where: bonds (distance) C4'-P energy: -13.870 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -17.127 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -14.500 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: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -194.289181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.289181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.289181 (E_RNA) where: Base-Base interactions energy: -116.890 where: short stacking energy: -62.390 Base-Backbone interact. energy: -0.102 local terms energy: -77.296942 where: bonds (distance) C4'-P energy: -17.529 bonds (distance) P-C4' energy: -18.408 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -15.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -180.932536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.932536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.932536 (E_RNA) where: Base-Base interactions energy: -109.340 where: short stacking energy: -57.228 Base-Backbone interact. energy: -0.015 local terms energy: -71.576746 where: bonds (distance) C4'-P energy: -14.926 bonds (distance) P-C4' energy: -16.094 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -12.293 tors. eta vs tors. theta energy: -12.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -167.265572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.265572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.265572 (E_RNA) where: Base-Base interactions energy: -104.330 where: short stacking energy: -55.916 Base-Backbone interact. energy: -0.069 local terms energy: -62.866102 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -12.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -161.255368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.255368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.255368 (E_RNA) where: Base-Base interactions energy: -91.395 where: short stacking energy: -52.034 Base-Backbone interact. energy: -0.038 local terms energy: -69.821981 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -15.666 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -14.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -153.309629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.309629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.309629 (E_RNA) where: Base-Base interactions energy: -92.372 where: short stacking energy: -56.898 Base-Backbone interact. energy: -0.124 local terms energy: -60.814197 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -11.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -157.690839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.690839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.690839 (E_RNA) where: Base-Base interactions energy: -96.086 where: short stacking energy: -55.228 Base-Backbone interact. energy: -0.012 local terms energy: -61.592793 where: bonds (distance) C4'-P energy: -15.870 bonds (distance) P-C4' energy: -9.152 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -15.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -143.727412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.727412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.727412 (E_RNA) where: Base-Base interactions energy: -84.181 where: short stacking energy: -38.529 Base-Backbone interact. energy: -0.356 local terms energy: -59.189912 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -7.445 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: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -89.610460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.610460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.610460 (E_RNA) where: Base-Base interactions energy: -38.030 where: short stacking energy: -33.635 Base-Backbone interact. energy: -0.137 local terms energy: -51.443579 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -12.395 tors. eta vs tors. theta energy: -1.415 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: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -80.913903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.913903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.913903 (E_RNA) where: Base-Base interactions energy: -28.318 where: short stacking energy: -28.718 Base-Backbone interact. energy: -0.323 local terms energy: -52.273184 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -6.426 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: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -204.722450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.722450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.722450 (E_RNA) where: Base-Base interactions energy: -134.004 where: short stacking energy: -61.716 Base-Backbone interact. energy: -0.261 local terms energy: -70.457970 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -16.282 flat angles C4'-P-C4' energy: -15.346 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -17.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -207.816936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.816936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.816936 (E_RNA) where: Base-Base interactions energy: -138.620 where: short stacking energy: -59.003 Base-Backbone interact. energy: -0.152 local terms energy: -69.045213 where: bonds (distance) C4'-P energy: -15.672 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -15.735 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -14.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -183.955353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.955353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.955353 (E_RNA) where: Base-Base interactions energy: -108.485 where: short stacking energy: -56.615 Base-Backbone interact. energy: -0.145 local terms energy: -75.325098 where: bonds (distance) C4'-P energy: -16.532 bonds (distance) P-C4' energy: -16.568 flat angles C4'-P-C4' energy: -16.831 flat angles P-C4'-P energy: -11.341 tors. eta vs tors. theta energy: -14.052 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: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -170.016617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.016617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.016617 (E_RNA) where: Base-Base interactions energy: -105.320 where: short stacking energy: -51.888 Base-Backbone interact. energy: -0.374 local terms energy: -64.322737 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -165.058272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.058272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.058272 (E_RNA) where: Base-Base interactions energy: -100.687 where: short stacking energy: -54.352 Base-Backbone interact. energy: -0.041 local terms energy: -64.330218 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -12.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -155.251365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.251365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.251365 (E_RNA) where: Base-Base interactions energy: -96.043 where: short stacking energy: -58.163 Base-Backbone interact. energy: -0.009 local terms energy: -59.199455 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -157.359915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.359915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.359915 (E_RNA) where: Base-Base interactions energy: -94.325 where: short stacking energy: -45.779 Base-Backbone interact. energy: -0.167 local terms energy: -62.867945 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -12.081 tors. eta vs tors. theta energy: -11.103 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: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -142.280291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.280291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.280291 (E_RNA) where: Base-Base interactions energy: -84.657 where: short stacking energy: -47.330 Base-Backbone interact. energy: -0.422 local terms energy: -57.200688 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -80.184921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.184921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.184921 (E_RNA) where: Base-Base interactions energy: -28.853 where: short stacking energy: -28.853 Base-Backbone interact. energy: -0.005 local terms energy: -51.326803 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -9.857 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -6.700 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -83.953391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.953391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.953391 (E_RNA) where: Base-Base interactions energy: -36.721 where: short stacking energy: -36.721 Base-Backbone interact. energy: -0.189 local terms energy: -47.042894 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -203.395277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.395277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.395277 (E_RNA) where: Base-Base interactions energy: -133.581 where: short stacking energy: -64.065 Base-Backbone interact. energy: -1.557 local terms energy: -68.256898 where: bonds (distance) C4'-P energy: -16.976 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -12.039 tors. eta vs tors. theta energy: -12.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -192.233312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.233312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.233312 (E_RNA) where: Base-Base interactions energy: -131.310 where: short stacking energy: -67.123 Base-Backbone interact. energy: 0.842 local terms energy: -61.765005 where: bonds (distance) C4'-P energy: -16.201 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -198.675516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.675516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.675516 (E_RNA) where: Base-Base interactions energy: -126.806 where: short stacking energy: -52.537 Base-Backbone interact. energy: -0.775 local terms energy: -71.094082 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -17.076 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -13.882 tors. eta vs tors. theta energy: -12.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -175.261029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.261029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.261029 (E_RNA) where: Base-Base interactions energy: -107.973 where: short stacking energy: -64.356 Base-Backbone interact. energy: -0.008 local terms energy: -67.279430 where: bonds (distance) C4'-P energy: -13.644 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -18.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -166.344848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.344848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.344848 (E_RNA) where: Base-Base interactions energy: -96.393 where: short stacking energy: -55.426 Base-Backbone interact. energy: -0.073 local terms energy: -69.879285 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -16.627 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -162.250380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.250380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.250380 (E_RNA) where: Base-Base interactions energy: -103.727 where: short stacking energy: -48.884 Base-Backbone interact. energy: 0.573 local terms energy: -59.096050 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -12.101 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: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -148.928996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.928996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.928996 (E_RNA) where: Base-Base interactions energy: -89.444 where: short stacking energy: -42.392 Base-Backbone interact. energy: -0.169 local terms energy: -59.315295 where: bonds (distance) C4'-P energy: -12.967 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -16.961 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -156.057364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.057364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.057364 (E_RNA) where: Base-Base interactions energy: -95.529 where: short stacking energy: -42.621 Base-Backbone interact. energy: -0.828 local terms energy: -59.699969 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -10.770 tors. eta vs tors. theta energy: -9.417 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: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -85.619501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.619501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.619501 (E_RNA) where: Base-Base interactions energy: -36.905 where: short stacking energy: -25.379 Base-Backbone interact. energy: -0.214 local terms energy: -48.501155 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -15.881 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -79.448620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.448620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.448620 (E_RNA) where: Base-Base interactions energy: -30.624 where: short stacking energy: -23.663 Base-Backbone interact. energy: -0.179 local terms energy: -48.645375 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -17.485 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -1.197 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: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -208.424348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.424348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.424348 (E_RNA) where: Base-Base interactions energy: -139.308 where: short stacking energy: -63.422 Base-Backbone interact. energy: -0.678 local terms energy: -68.438211 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -15.605 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -15.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -182.210147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.210147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.210147 (E_RNA) where: Base-Base interactions energy: -107.465 where: short stacking energy: -53.035 Base-Backbone interact. energy: -0.018 local terms energy: -74.727562 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -16.723 flat angles C4'-P-C4' energy: -17.554 flat angles P-C4'-P energy: -13.304 tors. eta vs tors. theta energy: -13.159 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: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -211.378104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.378104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.378104 (E_RNA) where: Base-Base interactions energy: -141.333 where: short stacking energy: -65.428 Base-Backbone interact. energy: -0.476 local terms energy: -69.569009 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -12.608 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -11.984 tors. eta vs tors. theta energy: -16.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -162.295547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.295547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.295547 (E_RNA) where: Base-Base interactions energy: -96.486 where: short stacking energy: -53.148 Base-Backbone interact. energy: -0.189 local terms energy: -65.620255 where: bonds (distance) C4'-P energy: -16.118 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -9.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -155.085338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.085338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.085338 (E_RNA) where: Base-Base interactions energy: -89.697 where: short stacking energy: -47.205 Base-Backbone interact. energy: -0.023 local terms energy: -65.364982 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -10.221 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -12.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -165.652015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.652015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.652015 (E_RNA) where: Base-Base interactions energy: -98.572 where: short stacking energy: -56.218 Base-Backbone interact. energy: -0.737 local terms energy: -66.342648 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -16.415 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -162.299279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.299279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.299279 (E_RNA) where: Base-Base interactions energy: -100.370 where: short stacking energy: -58.226 Base-Backbone interact. energy: -0.129 local terms energy: -61.800516 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -15.123 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -16.192 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: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -148.460125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.460125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.460125 (E_RNA) where: Base-Base interactions energy: -85.776 where: short stacking energy: -41.379 Base-Backbone interact. energy: -0.015 local terms energy: -62.669638 where: bonds (distance) C4'-P energy: -12.497 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -13.133 tors. eta vs tors. theta energy: -10.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -84.318191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.318191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.318191 (E_RNA) where: Base-Base interactions energy: -28.852 where: short stacking energy: -27.300 Base-Backbone interact. energy: -0.130 local terms energy: -55.336091 where: bonds (distance) C4'-P energy: -15.780 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -83.728525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.728525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.728525 (E_RNA) where: Base-Base interactions energy: -28.025 where: short stacking energy: -28.025 Base-Backbone interact. energy: -0.120 local terms energy: -55.584268 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -9.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -212.125203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.125203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.125203 (E_RNA) where: Base-Base interactions energy: -145.894 where: short stacking energy: -60.974 Base-Backbone interact. energy: -0.427 local terms energy: -65.803881 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -16.646 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -8.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -215.978488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.978488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.978488 (E_RNA) where: Base-Base interactions energy: -141.161 where: short stacking energy: -59.012 Base-Backbone interact. energy: -0.330 local terms energy: -74.488244 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -16.267 flat angles P-C4'-P energy: -12.919 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -179.883388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.883388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.883388 (E_RNA) where: Base-Base interactions energy: -107.971 where: short stacking energy: -67.139 Base-Backbone interact. energy: -0.044 local terms energy: -71.868458 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -20.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -169.767651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.767651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.767651 (E_RNA) where: Base-Base interactions energy: -103.181 where: short stacking energy: -58.190 Base-Backbone interact. energy: -0.112 local terms energy: -66.474458 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -16.841 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -166.167882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.167882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.167882 (E_RNA) where: Base-Base interactions energy: -101.715 where: short stacking energy: -62.220 Base-Backbone interact. energy: -0.056 local terms energy: -64.397480 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -16.675 flat angles P-C4'-P energy: -9.912 tors. eta vs tors. theta energy: -11.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -155.080664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.080664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.080664 (E_RNA) where: Base-Base interactions energy: -92.788 where: short stacking energy: -50.014 Base-Backbone interact. energy: -0.008 local terms energy: -62.283861 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -8.000 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -150.466303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.466303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.466303 (E_RNA) where: Base-Base interactions energy: -86.458 where: short stacking energy: -47.554 Base-Backbone interact. energy: -0.006 local terms energy: -64.002501 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -14.855 tors. eta vs tors. theta energy: -12.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -146.258746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.258746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.258746 (E_RNA) where: Base-Base interactions energy: -92.967 where: short stacking energy: -40.252 Base-Backbone interact. energy: -0.268 local terms energy: -53.024191 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -13.456 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -6.653 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: 133 Temperature: 1.300000 Total energy: -114.886367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.886367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.886367 (E_RNA) where: Base-Base interactions energy: -61.539 where: short stacking energy: -42.290 Base-Backbone interact. energy: -0.864 local terms energy: -52.483413 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -16.350 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -9.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -86.536575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.536575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.536575 (E_RNA) where: Base-Base interactions energy: -36.022 where: short stacking energy: -29.486 Base-Backbone interact. energy: -0.328 local terms energy: -50.186122 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: 1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -226.187804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.187804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.187804 (E_RNA) where: Base-Base interactions energy: -149.216 where: short stacking energy: -68.983 Base-Backbone interact. energy: -0.586 local terms energy: -76.385963 where: bonds (distance) C4'-P energy: -15.121 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -14.787 tors. eta vs tors. theta energy: -17.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -208.345679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.345679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.345679 (E_RNA) where: Base-Base interactions energy: -138.846 where: short stacking energy: -53.540 Base-Backbone interact. energy: -0.575 local terms energy: -68.924885 where: bonds (distance) C4'-P energy: -16.074 bonds (distance) P-C4' energy: -15.850 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -11.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -165.065993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.065993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.065993 (E_RNA) where: Base-Base interactions energy: -97.215 where: short stacking energy: -56.021 Base-Backbone interact. energy: -0.010 local terms energy: -67.841819 where: bonds (distance) C4'-P energy: -15.192 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -12.887 tors. eta vs tors. theta energy: -8.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -189.400723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.400723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.400723 (E_RNA) where: Base-Base interactions energy: -115.444 where: short stacking energy: -65.244 Base-Backbone interact. energy: -0.102 local terms energy: -73.854453 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -12.215 tors. eta vs tors. theta energy: -18.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -157.111814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.111814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.111814 (E_RNA) where: Base-Base interactions energy: -96.766 where: short stacking energy: -39.638 Base-Backbone interact. energy: 0.028 local terms energy: -60.374086 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -16.068 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -8.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -148.380841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.380841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.380841 (E_RNA) where: Base-Base interactions energy: -90.608 where: short stacking energy: -46.920 Base-Backbone interact. energy: -0.288 local terms energy: -57.485215 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -9.440 flat angles P-C4'-P energy: -10.603 tors. eta vs tors. theta energy: -8.590 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: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -156.988596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.988596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.988596 (E_RNA) where: Base-Base interactions energy: -96.886 where: short stacking energy: -51.822 Base-Backbone interact. energy: -0.001 local terms energy: -60.101296 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -15.202 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -14.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -148.361808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.361808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.361808 (E_RNA) where: Base-Base interactions energy: -92.808 where: short stacking energy: -50.455 Base-Backbone interact. energy: -0.092 local terms energy: -55.462044 where: bonds (distance) C4'-P energy: -14.041 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -9.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -74.785140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.785140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.785140 (E_RNA) where: Base-Base interactions energy: -33.596 where: short stacking energy: -32.041 Base-Backbone interact. energy: -0.181 local terms energy: -41.007602 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -72.411944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.411944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.411944 (E_RNA) where: Base-Base interactions energy: -23.898 where: short stacking energy: -20.047 Base-Backbone interact. energy: -0.126 local terms energy: -48.387825 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -13.896 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -3.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -224.054306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.054306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.054306 (E_RNA) where: Base-Base interactions energy: -150.155 where: short stacking energy: -68.399 Base-Backbone interact. energy: -0.537 local terms energy: -73.361575 where: bonds (distance) C4'-P energy: -13.353 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -16.694 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -18.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -177.405401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.405401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.405401 (E_RNA) where: Base-Base interactions energy: -116.557 where: short stacking energy: -49.906 Base-Backbone interact. energy: -0.801 local terms energy: -60.047103 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -15.394 flat angles C4'-P-C4' energy: -15.973 flat angles P-C4'-P energy: -6.836 tors. eta vs tors. theta energy: -10.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -168.027755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.027755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.027755 (E_RNA) where: Base-Base interactions energy: -98.385 where: short stacking energy: -47.526 Base-Backbone interact. energy: -0.699 local terms energy: -68.943533 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -16.067 flat angles P-C4'-P energy: -11.279 tors. eta vs tors. theta energy: -12.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -167.104076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.104076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.104076 (E_RNA) where: Base-Base interactions energy: -96.651 where: short stacking energy: -49.503 Base-Backbone interact. energy: -0.053 local terms energy: -70.399963 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -17.784 flat angles P-C4'-P energy: -11.655 tors. eta vs tors. theta energy: -12.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -166.275371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.275371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.275371 (E_RNA) where: Base-Base interactions energy: -107.190 where: short stacking energy: -45.773 Base-Backbone interact. energy: -0.293 local terms energy: -58.791669 where: bonds (distance) C4'-P energy: -14.222 bonds (distance) P-C4' energy: -14.943 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -9.340 tors. eta vs tors. theta energy: -7.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -157.347837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.347837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.347837 (E_RNA) where: Base-Base interactions energy: -90.818 where: short stacking energy: -46.563 Base-Backbone interact. energy: -0.167 local terms energy: -66.363288 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -12.139 tors. eta vs tors. theta energy: -11.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -149.210691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.210691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.210691 (E_RNA) where: Base-Base interactions energy: -96.516 where: short stacking energy: -53.366 Base-Backbone interact. energy: -0.061 local terms energy: -52.633279 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -16.070 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -10.859 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: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -143.128014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.128014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.128014 (E_RNA) where: Base-Base interactions energy: -87.489 where: short stacking energy: -46.055 Base-Backbone interact. energy: -0.002 local terms energy: -55.637388 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -14.211 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -83.128686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.128686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.128686 (E_RNA) where: Base-Base interactions energy: -32.547 where: short stacking energy: -30.513 Base-Backbone interact. energy: 0.398 local terms energy: -50.979793 where: bonds (distance) C4'-P energy: -12.372 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -8.965 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -84.324136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.324136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.324136 (E_RNA) where: Base-Base interactions energy: -43.306 where: short stacking energy: -25.251 Base-Backbone interact. energy: -0.113 local terms energy: -40.905433 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -9.697 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -225.672826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.672826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.672826 (E_RNA) where: Base-Base interactions energy: -149.882 where: short stacking energy: -77.823 Base-Backbone interact. energy: -0.418 local terms energy: -75.372412 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -11.852 tors. eta vs tors. theta energy: -20.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -170.063414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.063414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.063414 (E_RNA) where: Base-Base interactions energy: -104.702 where: short stacking energy: -56.818 Base-Backbone interact. energy: 0.532 local terms energy: -65.893206 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -15.628 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -183.957493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.957493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.957493 (E_RNA) where: Base-Base interactions energy: -111.181 where: short stacking energy: -61.356 Base-Backbone interact. energy: -0.006 local terms energy: -72.770367 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -17.424 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -17.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -166.119932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.119932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.119932 (E_RNA) where: Base-Base interactions energy: -101.714 where: short stacking energy: -55.821 Base-Backbone interact. energy: -0.316 local terms energy: -64.090529 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -15.242 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -10.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -177.289951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.289951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.289951 (E_RNA) where: Base-Base interactions energy: -109.509 where: short stacking energy: -55.504 Base-Backbone interact. energy: -0.870 local terms energy: -66.911596 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -16.323 flat angles P-C4'-P energy: -12.954 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: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -169.144420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.144420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.144420 (E_RNA) where: Base-Base interactions energy: -101.619 where: short stacking energy: -56.467 Base-Backbone interact. energy: -0.002 local terms energy: -67.523539 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -18.186 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -15.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -141.207964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.207964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.207964 (E_RNA) where: Base-Base interactions energy: -90.084 where: short stacking energy: -42.784 Base-Backbone interact. energy: -0.133 local terms energy: -50.991288 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -155.693693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.693693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.693693 (E_RNA) where: Base-Base interactions energy: -94.071 where: short stacking energy: -51.225 Base-Backbone interact. energy: -0.243 local terms energy: -61.379435 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -14.080 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -12.688 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -80.077132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.077132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.077132 (E_RNA) where: Base-Base interactions energy: -32.170 where: short stacking energy: -14.910 Base-Backbone interact. energy: 1.127 local terms energy: -49.034240 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -16.887 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: 3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -79.687622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.687622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.687622 (E_RNA) where: Base-Base interactions energy: -38.287 where: short stacking energy: -36.884 Base-Backbone interact. energy: -0.121 local terms energy: -41.278672 where: bonds (distance) C4'-P energy: -7.528 bonds (distance) P-C4' energy: -8.697 flat angles C4'-P-C4' energy: -14.383 flat angles P-C4'-P energy: -8.485 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -226.127812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.127812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.127812 (E_RNA) where: Base-Base interactions energy: -152.693 where: short stacking energy: -70.421 Base-Backbone interact. energy: -0.435 local terms energy: -72.999514 where: bonds (distance) C4'-P energy: -17.229 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -11.502 tors. eta vs tors. theta energy: -18.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -179.808711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.808711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.808711 (E_RNA) where: Base-Base interactions energy: -108.404 where: short stacking energy: -62.151 Base-Backbone interact. energy: -0.340 local terms energy: -71.064522 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -17.331 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -16.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -189.111732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.111732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.111732 (E_RNA) where: Base-Base interactions energy: -109.895 where: short stacking energy: -66.488 Base-Backbone interact. energy: 0.076 local terms energy: -79.293413 where: bonds (distance) C4'-P energy: -15.788 bonds (distance) P-C4' energy: -15.618 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -12.659 tors. eta vs tors. theta energy: -19.574 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: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -187.559610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.559610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.559610 (E_RNA) where: Base-Base interactions energy: -116.176 where: short stacking energy: -57.482 Base-Backbone interact. energy: 0.869 local terms energy: -72.251853 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -16.475 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -14.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -169.867871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.867871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.867871 (E_RNA) where: Base-Base interactions energy: -99.627 where: short stacking energy: -60.008 Base-Backbone interact. energy: -0.087 local terms energy: -70.153567 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -12.069 tors. eta vs tors. theta energy: -17.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -151.314317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.314317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.314317 (E_RNA) where: Base-Base interactions energy: -93.167 where: short stacking energy: -52.690 Base-Backbone interact. energy: -0.213 local terms energy: -57.934653 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -12.487 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -12.422 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: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -155.125503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.125503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.125503 (E_RNA) where: Base-Base interactions energy: -94.263 where: short stacking energy: -42.437 Base-Backbone interact. energy: -0.700 local terms energy: -60.163016 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -11.375 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -8.443 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: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -145.706070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.706070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.706070 (E_RNA) where: Base-Base interactions energy: -87.868 where: short stacking energy: -38.847 Base-Backbone interact. energy: -0.119 local terms energy: -57.719388 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -15.254 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -11.122 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: 9, replica: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -84.883484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.883484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.883484 (E_RNA) where: Base-Base interactions energy: -29.498 where: short stacking energy: -29.498 Base-Backbone interact. energy: 0.611 local terms energy: -55.996546 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -0.536 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: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -81.126974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.126974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.126974 (E_RNA) where: Base-Base interactions energy: -27.391 where: short stacking energy: -27.391 Base-Backbone interact. energy: -0.274 local terms energy: -53.461551 where: bonds (distance) C4'-P energy: -14.530 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: 1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -221.143796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.143796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.143796 (E_RNA) where: Base-Base interactions energy: -146.225 where: short stacking energy: -76.411 Base-Backbone interact. energy: -0.942 local terms energy: -73.976611 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -9.378 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -19.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -186.243504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.243504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.243504 (E_RNA) where: Base-Base interactions energy: -117.257 where: short stacking energy: -62.019 Base-Backbone interact. energy: -0.095 local terms energy: -68.890880 where: bonds (distance) C4'-P energy: -15.917 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -14.960 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: 3, replica: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -199.433361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.433361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.433361 (E_RNA) where: Base-Base interactions energy: -124.163 where: short stacking energy: -59.455 Base-Backbone interact. energy: -0.781 local terms energy: -74.489241 where: bonds (distance) C4'-P energy: -14.496 bonds (distance) P-C4' energy: -13.164 flat angles C4'-P-C4' energy: -17.350 flat angles P-C4'-P energy: -11.859 tors. eta vs tors. theta energy: -17.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -172.921239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.921239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.921239 (E_RNA) where: Base-Base interactions energy: -100.344 where: short stacking energy: -60.888 Base-Backbone interact. energy: -0.056 local terms energy: -72.522151 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -17.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -169.146107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.146107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.146107 (E_RNA) where: Base-Base interactions energy: -104.994 where: short stacking energy: -55.241 Base-Backbone interact. energy: -0.378 local terms energy: -63.773832 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -13.924 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: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -159.291437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.291437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.291437 (E_RNA) where: Base-Base interactions energy: -96.010 where: short stacking energy: -54.103 Base-Backbone interact. energy: -0.073 local terms energy: -63.207728 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -10.515 tors. eta vs tors. theta energy: -11.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -119.092085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.092085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.092085 (E_RNA) where: Base-Base interactions energy: -68.057 where: short stacking energy: -30.467 Base-Backbone interact. energy: -0.039 local terms energy: -50.995589 where: bonds (distance) C4'-P energy: -14.624 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -11.663 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -142.333441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.333441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.333441 (E_RNA) where: Base-Base interactions energy: -84.342 where: short stacking energy: -42.788 Base-Backbone interact. energy: -0.576 local terms energy: -57.415881 where: bonds (distance) C4'-P energy: -14.781 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -84.211596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.211596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.211596 (E_RNA) where: Base-Base interactions energy: -29.550 where: short stacking energy: -29.376 Base-Backbone interact. energy: -1.226 local terms energy: -53.435148 where: bonds (distance) C4'-P energy: -15.639 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: 1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -91.084443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.084443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.084443 (E_RNA) where: Base-Base interactions energy: -42.863 where: short stacking energy: -42.188 Base-Backbone interact. energy: -0.010 local terms energy: -48.211527 where: bonds (distance) C4'-P energy: -9.631 bonds (distance) P-C4' energy: -11.508 flat angles C4'-P-C4' energy: -14.470 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -5.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -223.668695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.668695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.668695 (E_RNA) where: Base-Base interactions energy: -149.943 where: short stacking energy: -72.794 Base-Backbone interact. energy: -0.344 local terms energy: -73.382052 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -12.185 flat angles C4'-P-C4' energy: -16.093 flat angles P-C4'-P energy: -11.863 tors. eta vs tors. theta energy: -18.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -207.784874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.784874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.784874 (E_RNA) where: Base-Base interactions energy: -130.368 where: short stacking energy: -65.651 Base-Backbone interact. energy: -0.486 local terms energy: -76.931061 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -15.134 flat angles P-C4'-P energy: -13.748 tors. eta vs tors. theta energy: -18.509 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: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -184.228379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.228379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.228379 (E_RNA) where: Base-Base interactions energy: -115.431 where: short stacking energy: -62.224 Base-Backbone interact. energy: -0.397 local terms energy: -68.401068 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -11.525 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -174.570955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.570955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.570955 (E_RNA) where: Base-Base interactions energy: -105.925 where: short stacking energy: -65.089 Base-Backbone interact. energy: -0.106 local terms energy: -68.540045 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -14.813 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -18.334 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: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -163.325997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.325997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.325997 (E_RNA) where: Base-Base interactions energy: -103.634 where: short stacking energy: -55.706 Base-Backbone interact. energy: -0.114 local terms energy: -59.578129 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -10.816 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: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -145.645094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.645094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.645094 (E_RNA) where: Base-Base interactions energy: -83.832 where: short stacking energy: -41.705 Base-Backbone interact. energy: -1.152 local terms energy: -60.661125 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -15.167 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -139.387912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.387912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.387912 (E_RNA) where: Base-Base interactions energy: -83.038 where: short stacking energy: -37.472 Base-Backbone interact. energy: -0.196 local terms energy: -56.154068 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -5.034 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: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -145.535649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.535649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.535649 (E_RNA) where: Base-Base interactions energy: -86.601 where: short stacking energy: -41.331 Base-Backbone interact. energy: -0.023 local terms energy: -58.911445 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -9.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -86.661667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.661667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.661667 (E_RNA) where: Base-Base interactions energy: -35.763 where: short stacking energy: -34.402 Base-Backbone interact. energy: -0.215 local terms energy: -50.683074 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -12.833 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -76.398875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.398875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.398875 (E_RNA) where: Base-Base interactions energy: -22.133 where: short stacking energy: -20.506 Base-Backbone interact. energy: 1.245 local terms energy: -55.510263 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -16.955 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -231.883077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.883077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.883077 (E_RNA) where: Base-Base interactions energy: -156.151 where: short stacking energy: -77.247 Base-Backbone interact. energy: -0.957 local terms energy: -74.775035 where: bonds (distance) C4'-P energy: -11.957 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -12.061 tors. eta vs tors. theta energy: -19.756 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: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -207.862925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.862925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.862925 (E_RNA) where: Base-Base interactions energy: -142.717 where: short stacking energy: -59.054 Base-Backbone interact. energy: -0.274 local terms energy: -64.872176 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -7.798 tors. eta vs tors. theta energy: -13.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -174.708040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.708040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.708040 (E_RNA) where: Base-Base interactions energy: -107.024 where: short stacking energy: -58.437 Base-Backbone interact. energy: -0.775 local terms energy: -66.909325 where: bonds (distance) C4'-P energy: -15.245 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -13.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -173.054708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.054708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.054708 (E_RNA) where: Base-Base interactions energy: -117.153 where: short stacking energy: -56.053 Base-Backbone interact. energy: -0.151 local terms energy: -55.751039 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -14.013 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -10.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -167.203815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.203815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.203815 (E_RNA) where: Base-Base interactions energy: -103.129 where: short stacking energy: -58.879 Base-Backbone interact. energy: -0.007 local terms energy: -64.068055 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -15.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -165.672984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.672984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.672984 (E_RNA) where: Base-Base interactions energy: -101.606 where: short stacking energy: -36.963 Base-Backbone interact. energy: -0.043 local terms energy: -64.023515 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -17.177 flat angles C4'-P-C4' energy: -15.516 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -7.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -144.597312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.597312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.597312 (E_RNA) where: Base-Base interactions energy: -85.729 where: short stacking energy: -46.112 Base-Backbone interact. energy: -0.298 local terms energy: -58.570943 where: bonds (distance) C4'-P energy: -7.185 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -12.270 tors. eta vs tors. theta energy: -12.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -148.036601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.036601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.036601 (E_RNA) where: Base-Base interactions energy: -88.818 where: short stacking energy: -42.658 Base-Backbone interact. energy: -0.719 local terms energy: -58.499524 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -13.370 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: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -91.445476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.445476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.445476 (E_RNA) where: Base-Base interactions energy: -36.267 where: short stacking energy: -34.590 Base-Backbone interact. energy: -0.015 local terms energy: -55.163066 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -5.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -81.489688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.489688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.489688 (E_RNA) where: Base-Base interactions energy: -37.652 where: short stacking energy: -24.785 Base-Backbone interact. energy: -0.132 local terms energy: -43.706090 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -11.524 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -0.356 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: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -217.853123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.853123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.853123 (E_RNA) where: Base-Base interactions energy: -146.362 where: short stacking energy: -67.107 Base-Backbone interact. energy: -0.651 local terms energy: -70.840181 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -14.295 flat angles C4'-P-C4' energy: -16.700 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -14.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -185.669243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.669243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.669243 (E_RNA) where: Base-Base interactions energy: -112.064 where: short stacking energy: -58.570 Base-Backbone interact. energy: -0.821 local terms energy: -72.784378 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -17.789 flat angles P-C4'-P energy: -13.707 tors. eta vs tors. theta energy: -14.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -197.083193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.083193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.083193 (E_RNA) where: Base-Base interactions energy: -132.717 where: short stacking energy: -64.868 Base-Backbone interact. energy: -0.130 local terms energy: -64.236432 where: bonds (distance) C4'-P energy: -15.647 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -175.343458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.343458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.343458 (E_RNA) where: Base-Base interactions energy: -105.595 where: short stacking energy: -59.941 Base-Backbone interact. energy: -0.080 local terms energy: -69.668251 where: bonds (distance) C4'-P energy: -14.930 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -16.093 flat angles P-C4'-P energy: -10.909 tors. eta vs tors. theta energy: -14.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -160.738296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.738296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.738296 (E_RNA) where: Base-Base interactions energy: -112.330 where: short stacking energy: -46.300 Base-Backbone interact. energy: -0.030 local terms energy: -48.378165 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -159.094479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.094479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.094479 (E_RNA) where: Base-Base interactions energy: -100.348 where: short stacking energy: -56.702 Base-Backbone interact. energy: -0.002 local terms energy: -58.744271 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -11.313 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -11.928 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: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -155.896359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.896359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.896359 (E_RNA) where: Base-Base interactions energy: -91.361 where: short stacking energy: -51.647 Base-Backbone interact. energy: -0.324 local terms energy: -64.211393 where: bonds (distance) C4'-P energy: -14.948 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -12.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -151.436468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.436468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.436468 (E_RNA) where: Base-Base interactions energy: -91.998 where: short stacking energy: -49.514 Base-Backbone interact. energy: -0.351 local terms energy: -59.087445 where: bonds (distance) C4'-P energy: -15.841 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -7.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -90.297173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.297173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.297173 (E_RNA) where: Base-Base interactions energy: -29.315 where: short stacking energy: -29.315 Base-Backbone interact. energy: -0.137 local terms energy: -60.844498 where: bonds (distance) C4'-P energy: -15.507 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -10.042 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -78.265368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.265368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.265368 (E_RNA) where: Base-Base interactions energy: -25.618 where: short stacking energy: -23.846 Base-Backbone interact. energy: -0.231 local terms energy: -52.415601 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -224.710492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.710492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.710492 (E_RNA) where: Base-Base interactions energy: -149.964 where: short stacking energy: -69.549 Base-Backbone interact. energy: -0.691 local terms energy: -74.055568 where: bonds (distance) C4'-P energy: -11.763 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -16.900 flat angles P-C4'-P energy: -11.446 tors. eta vs tors. theta energy: -18.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -183.487822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.487822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.487822 (E_RNA) where: Base-Base interactions energy: -107.138 where: short stacking energy: -55.896 Base-Backbone interact. energy: -0.308 local terms energy: -76.041533 where: bonds (distance) C4'-P energy: -16.002 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -16.640 flat angles P-C4'-P energy: -14.951 tors. eta vs tors. theta energy: -12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -191.002923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.002923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.002923 (E_RNA) where: Base-Base interactions energy: -122.292 where: short stacking energy: -52.887 Base-Backbone interact. energy: -0.121 local terms energy: -68.590799 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -16.383 flat angles P-C4'-P energy: -13.149 tors. eta vs tors. theta energy: -11.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -162.794352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.794352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.794352 (E_RNA) where: Base-Base interactions energy: -98.187 where: short stacking energy: -48.791 Base-Backbone interact. energy: -0.062 local terms energy: -64.546162 where: bonds (distance) C4'-P energy: -16.516 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -9.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -161.671044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.671044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.671044 (E_RNA) where: Base-Base interactions energy: -94.970 where: short stacking energy: -48.949 Base-Backbone interact. energy: -0.006 local terms energy: -66.695071 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -16.317 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: 6, replica: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -178.133607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.133607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.133607 (E_RNA) where: Base-Base interactions energy: -120.845 where: short stacking energy: -50.144 Base-Backbone interact. energy: -0.277 local terms energy: -57.012276 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -11.004 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -146.002436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.002436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.002436 (E_RNA) where: Base-Base interactions energy: -85.107 where: short stacking energy: -43.880 Base-Backbone interact. energy: -0.159 local terms energy: -60.736847 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -13.510 tors. eta vs tors. theta energy: -9.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -130.569791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.569791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.569791 (E_RNA) where: Base-Base interactions energy: -76.887 where: short stacking energy: -38.161 Base-Backbone interact. energy: 0.132 local terms energy: -53.814598 where: bonds (distance) C4'-P energy: -15.858 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -4.699 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: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -88.661703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.661703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.661703 (E_RNA) where: Base-Base interactions energy: -36.748 where: short stacking energy: -36.748 Base-Backbone interact. energy: -0.138 local terms energy: -51.775402 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -8.401 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: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -83.498835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.498835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.498835 (E_RNA) where: Base-Base interactions energy: -33.248 where: short stacking energy: -25.516 Base-Backbone interact. energy: 0.941 local terms energy: -51.192114 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -0.968 tors. eta vs tors. theta energy: -8.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -227.624149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.624149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.624149 (E_RNA) where: Base-Base interactions energy: -148.243 where: short stacking energy: -75.420 Base-Backbone interact. energy: -0.414 local terms energy: -78.966651 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -17.752 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -17.349 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: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -188.960774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.960774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.960774 (E_RNA) where: Base-Base interactions energy: -121.254 where: short stacking energy: -56.405 Base-Backbone interact. energy: -0.008 local terms energy: -67.699337 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -17.656 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -183.512927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.512927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.512927 (E_RNA) where: Base-Base interactions energy: -111.742 where: short stacking energy: -57.664 Base-Backbone interact. energy: -1.728 local terms energy: -70.042552 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -14.795 flat angles C4'-P-C4' energy: -16.017 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -16.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -177.131897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.131897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.131897 (E_RNA) where: Base-Base interactions energy: -101.688 where: short stacking energy: -54.541 Base-Backbone interact. energy: -0.187 local terms energy: -75.257582 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -16.973 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -18.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -173.036841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.036841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.036841 (E_RNA) where: Base-Base interactions energy: -112.259 where: short stacking energy: -53.396 Base-Backbone interact. energy: -0.308 local terms energy: -60.470065 where: bonds (distance) C4'-P energy: -11.884 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -16.172 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -10.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -150.298609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.298609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.298609 (E_RNA) where: Base-Base interactions energy: -97.271 where: short stacking energy: -54.370 Base-Backbone interact. energy: 0.693 local terms energy: -53.720412 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -8.448 flat angles C4'-P-C4' energy: -16.527 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -154.234744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.234744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.234744 (E_RNA) where: Base-Base interactions energy: -97.174 where: short stacking energy: -54.064 Base-Backbone interact. energy: -0.203 local terms energy: -56.857945 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -7.217 tors. eta vs tors. theta energy: -13.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -108.303099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.303099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.303099 (E_RNA) where: Base-Base interactions energy: -51.333 where: short stacking energy: -30.426 Base-Backbone interact. energy: -0.085 local terms energy: -56.885111 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -10.038 tors. eta vs tors. theta energy: -2.478 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: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -96.852738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.852738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.852738 (E_RNA) where: Base-Base interactions energy: -49.643 where: short stacking energy: -28.301 Base-Backbone interact. energy: -0.246 local terms energy: -46.963968 where: bonds (distance) C4'-P energy: -16.335 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -80.723240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.723240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.723240 (E_RNA) where: Base-Base interactions energy: -34.261 where: short stacking energy: -30.680 Base-Backbone interact. energy: -0.179 local terms energy: -46.282689 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -5.798 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: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -201.202790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.202790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.202790 (E_RNA) where: Base-Base interactions energy: -126.095 where: short stacking energy: -58.929 Base-Backbone interact. energy: -0.130 local terms energy: -74.977772 where: bonds (distance) C4'-P energy: -15.871 bonds (distance) P-C4' energy: -16.949 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -217.799886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.799886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.799886 (E_RNA) where: Base-Base interactions energy: -140.867 where: short stacking energy: -66.376 Base-Backbone interact. energy: -0.592 local terms energy: -76.341012 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -17.358 flat angles P-C4'-P energy: -13.344 tors. eta vs tors. theta energy: -20.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -180.279077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.279077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.279077 (E_RNA) where: Base-Base interactions energy: -113.349 where: short stacking energy: -68.275 Base-Backbone interact. energy: -0.123 local terms energy: -66.807088 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -16.278 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -14.891 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: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -174.805043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.805043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.805043 (E_RNA) where: Base-Base interactions energy: -108.828 where: short stacking energy: -64.654 Base-Backbone interact. energy: -0.037 local terms energy: -65.940489 where: bonds (distance) C4'-P energy: -15.718 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -16.201 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: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -173.383951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.383951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.383951 (E_RNA) where: Base-Base interactions energy: -107.198 where: short stacking energy: -66.048 Base-Backbone interact. energy: -0.003 local terms energy: -66.183394 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -18.687 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: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -161.936041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.936041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.936041 (E_RNA) where: Base-Base interactions energy: -107.425 where: short stacking energy: -47.944 Base-Backbone interact. energy: -0.188 local terms energy: -54.322600 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -10.076 flat angles C4'-P-C4' energy: -15.679 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -98.803011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.803011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.803011 (E_RNA) where: Base-Base interactions energy: -36.777 where: short stacking energy: -36.777 Base-Backbone interact. energy: -0.005 local terms energy: -62.020812 where: bonds (distance) C4'-P energy: -18.296 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -149.868095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.868095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.868095 (E_RNA) where: Base-Base interactions energy: -99.237 where: short stacking energy: -50.841 Base-Backbone interact. energy: -0.048 local terms energy: -50.582437 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -81.114187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.114187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.114187 (E_RNA) where: Base-Base interactions energy: -43.121 where: short stacking energy: -26.425 Base-Backbone interact. energy: 1.319 local terms energy: -39.311992 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: 1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -82.180741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.180741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.180741 (E_RNA) where: Base-Base interactions energy: -26.257 where: short stacking energy: -26.257 Base-Backbone interact. energy: -0.114 local terms energy: -55.809839 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -18.873 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -3.761 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: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -194.080221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.080221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.080221 (E_RNA) where: Base-Base interactions energy: -114.771 where: short stacking energy: -66.592 Base-Backbone interact. energy: -0.051 local terms energy: -79.257529 where: bonds (distance) C4'-P energy: -15.018 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -18.367 flat angles P-C4'-P energy: -14.101 tors. eta vs tors. theta energy: -19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -222.660774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.660774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.660774 (E_RNA) where: Base-Base interactions energy: -144.477 where: short stacking energy: -66.773 Base-Backbone interact. energy: -1.253 local terms energy: -76.930390 where: bonds (distance) C4'-P energy: -15.054 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -19.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -176.311374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.311374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.311374 (E_RNA) where: Base-Base interactions energy: -110.143 where: short stacking energy: -55.526 Base-Backbone interact. energy: -0.237 local terms energy: -65.930903 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -15.599 flat angles P-C4'-P energy: -11.265 tors. eta vs tors. theta energy: -9.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -164.250643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.250643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.250643 (E_RNA) where: Base-Base interactions energy: -93.321 where: short stacking energy: -54.182 Base-Backbone interact. energy: -0.275 local terms energy: -70.654370 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -13.204 tors. eta vs tors. theta energy: -16.181 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: 145 Temperature: 1.100000 Total energy: -161.772785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.772785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.772785 (E_RNA) where: Base-Base interactions energy: -97.308 where: short stacking energy: -54.123 Base-Backbone interact. energy: -0.406 local terms energy: -64.058480 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -16.694 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -10.337 tors. eta vs tors. theta energy: -10.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -160.619630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.619630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.619630 (E_RNA) where: Base-Base interactions energy: -103.486 where: short stacking energy: -50.028 Base-Backbone interact. energy: 1.720 local terms energy: -58.853203 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -10.004 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -10.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -94.978313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.978313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.978313 (E_RNA) where: Base-Base interactions energy: -33.413 where: short stacking energy: -32.309 Base-Backbone interact. energy: -0.105 local terms energy: -61.461012 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -8.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -152.954412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.954412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.954412 (E_RNA) where: Base-Base interactions energy: -94.321 where: short stacking energy: -44.858 Base-Backbone interact. energy: -0.066 local terms energy: -58.567472 where: bonds (distance) C4'-P energy: -14.666 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -94.653680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.653680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.653680 (E_RNA) where: Base-Base interactions energy: -34.746 where: short stacking energy: -32.882 Base-Backbone interact. energy: -0.817 local terms energy: -59.090492 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -17.234 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -7.782 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: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -74.850625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.850625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.850625 (E_RNA) where: Base-Base interactions energy: -30.001 where: short stacking energy: -23.090 Base-Backbone interact. energy: 0.491 local terms energy: -45.340705 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -10.386 tors. eta vs tors. theta energy: 0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -222.503220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.503220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.503220 (E_RNA) where: Base-Base interactions energy: -153.985 where: short stacking energy: -76.199 Base-Backbone interact. energy: -0.888 local terms energy: -67.630156 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -18.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -199.024484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.024484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.024484 (E_RNA) where: Base-Base interactions energy: -130.544 where: short stacking energy: -59.529 Base-Backbone interact. energy: -0.002 local terms energy: -68.478323 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -12.140 tors. eta vs tors. theta energy: -15.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -187.577062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.577062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.577062 (E_RNA) where: Base-Base interactions energy: -113.725 where: short stacking energy: -67.595 Base-Backbone interact. energy: -0.091 local terms energy: -73.761408 where: bonds (distance) C4'-P energy: -17.506 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -16.849 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: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -174.212557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.212557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.212557 (E_RNA) where: Base-Base interactions energy: -112.179 where: short stacking energy: -69.186 Base-Backbone interact. energy: -0.015 local terms energy: -62.018795 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -17.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -168.818911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.818911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.818911 (E_RNA) where: Base-Base interactions energy: -107.425 where: short stacking energy: -54.745 Base-Backbone interact. energy: -0.662 local terms energy: -60.731918 where: bonds (distance) C4'-P energy: -9.781 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -12.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -162.435515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.435515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.435515 (E_RNA) where: Base-Base interactions energy: -95.161 where: short stacking energy: -59.917 Base-Backbone interact. energy: -0.024 local terms energy: -67.251388 where: bonds (distance) C4'-P energy: -11.842 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -17.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -151.085306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.085306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.085306 (E_RNA) where: Base-Base interactions energy: -99.232 where: short stacking energy: -47.187 Base-Backbone interact. energy: -0.350 local terms energy: -51.502808 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -9.136 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: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -84.763453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.763453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.763453 (E_RNA) where: Base-Base interactions energy: -29.856 where: short stacking energy: -29.856 Base-Backbone interact. energy: -0.054 local terms energy: -54.852961 where: bonds (distance) C4'-P energy: -13.743 bonds (distance) P-C4' energy: -18.408 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -82.131709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.131709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.131709 (E_RNA) where: Base-Base interactions energy: -23.547 where: short stacking energy: -23.547 Base-Backbone interact. energy: -0.119 local terms energy: -58.466005 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -16.403 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -5.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -99.028091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.028091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.028091 (E_RNA) where: Base-Base interactions energy: -40.133 where: short stacking energy: -40.133 Base-Backbone interact. energy: -0.019 local terms energy: -58.875770 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -10.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -228.548611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.548611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.548611 (E_RNA) where: Base-Base interactions energy: -150.194 where: short stacking energy: -76.520 Base-Backbone interact. energy: -0.535 local terms energy: -77.819255 where: bonds (distance) C4'-P energy: -15.999 bonds (distance) P-C4' energy: -15.289 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -11.717 tors. eta vs tors. theta energy: -20.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -202.541437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.541437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.541437 (E_RNA) where: Base-Base interactions energy: -135.879 where: short stacking energy: -56.425 Base-Backbone interact. energy: -0.305 local terms energy: -66.357565 where: bonds (distance) C4'-P energy: -16.587 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -10.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -186.538986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.538986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.538986 (E_RNA) where: Base-Base interactions energy: -117.008 where: short stacking energy: -68.351 Base-Backbone interact. energy: -0.001 local terms energy: -69.529698 where: bonds (distance) C4'-P energy: -14.951 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -16.260 flat angles P-C4'-P energy: -11.159 tors. eta vs tors. theta energy: -16.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -162.213103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.213103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.213103 (E_RNA) where: Base-Base interactions energy: -98.718 where: short stacking energy: -44.588 Base-Backbone interact. energy: -0.228 local terms energy: -63.266779 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -11.490 flat angles P-C4'-P energy: -12.651 tors. eta vs tors. theta energy: -10.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -164.920396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.920396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.920396 (E_RNA) where: Base-Base interactions energy: -94.187 where: short stacking energy: -49.744 Base-Backbone interact. energy: -0.402 local terms energy: -70.331617 where: bonds (distance) C4'-P energy: -17.088 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -18.437 flat angles P-C4'-P energy: -7.634 tors. eta vs tors. theta energy: -15.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -167.535515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.535515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.535515 (E_RNA) where: Base-Base interactions energy: -103.058 where: short stacking energy: -51.364 Base-Backbone interact. energy: 1.132 local terms energy: -65.610130 where: bonds (distance) C4'-P energy: -15.601 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -14.098 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: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -153.144685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.144685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.144685 (E_RNA) where: Base-Base interactions energy: -97.277 where: short stacking energy: -60.237 Base-Backbone interact. energy: -0.155 local terms energy: -55.712535 where: bonds (distance) C4'-P energy: -7.574 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -13.136 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -89.263667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.263667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.263667 (E_RNA) where: Base-Base interactions energy: -34.448 where: short stacking energy: -30.449 Base-Backbone interact. energy: -0.242 local terms energy: -54.573713 where: bonds (distance) C4'-P energy: -16.173 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -99.870270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.870270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.870270 (E_RNA) where: Base-Base interactions energy: -54.997 where: short stacking energy: -34.293 Base-Backbone interact. energy: 1.201 local terms energy: -46.074670 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -6.331 flat angles C4'-P-C4' energy: -9.204 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -81.778885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.778885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.778885 (E_RNA) where: Base-Base interactions energy: -30.796 where: short stacking energy: -28.314 Base-Backbone interact. energy: -0.303 local terms energy: -50.679949 where: bonds (distance) C4'-P energy: -15.941 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -226.400004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.400004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.400004 (E_RNA) where: Base-Base interactions energy: -146.222 where: short stacking energy: -71.807 Base-Backbone interact. energy: -0.275 local terms energy: -79.902944 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -17.019 flat angles C4'-P-C4' energy: -16.867 flat angles P-C4'-P energy: -11.159 tors. eta vs tors. theta energy: -19.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -187.854132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.854132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.854132 (E_RNA) where: Base-Base interactions energy: -129.870 where: short stacking energy: -58.147 Base-Backbone interact. energy: -0.153 local terms energy: -57.831708 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -16.780 flat angles C4'-P-C4' energy: -15.743 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -12.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -165.017435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.017435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.017435 (E_RNA) where: Base-Base interactions energy: -97.221 where: short stacking energy: -54.121 Base-Backbone interact. energy: -0.057 local terms energy: -67.739940 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -16.491 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -12.385 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -171.981110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.981110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.981110 (E_RNA) where: Base-Base interactions energy: -105.706 where: short stacking energy: -61.100 Base-Backbone interact. energy: -0.016 local terms energy: -66.259602 where: bonds (distance) C4'-P energy: -13.952 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -16.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -164.032715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.032715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.032715 (E_RNA) where: Base-Base interactions energy: -93.723 where: short stacking energy: -54.960 Base-Backbone interact. energy: -0.352 local terms energy: -69.957149 where: bonds (distance) C4'-P energy: -13.925 bonds (distance) P-C4' energy: -18.003 flat angles C4'-P-C4' energy: -16.177 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -158.458361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.458361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.458361 (E_RNA) where: Base-Base interactions energy: -97.872 where: short stacking energy: -57.028 Base-Backbone interact. energy: -0.098 local terms energy: -60.488381 where: bonds (distance) C4'-P energy: -9.806 bonds (distance) P-C4' energy: -16.948 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -12.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -164.522869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.522869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.522869 (E_RNA) where: Base-Base interactions energy: -94.175 where: short stacking energy: -54.690 Base-Backbone interact. energy: -0.138 local terms energy: -70.210635 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -16.098 flat angles C4'-P-C4' energy: -14.880 flat angles P-C4'-P energy: -12.585 tors. eta vs tors. theta energy: -14.367 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: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -92.647593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.647593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.647593 (E_RNA) where: Base-Base interactions energy: -34.172 where: short stacking energy: -34.172 Base-Backbone interact. energy: -0.254 local terms energy: -58.221661 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -16.222 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -83.164341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.164341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.164341 (E_RNA) where: Base-Base interactions energy: -25.996 where: short stacking energy: -22.804 Base-Backbone interact. energy: -0.123 local terms energy: -57.045557 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -18.003 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -12.202 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -90.664551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.664551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.664551 (E_RNA) where: Base-Base interactions energy: -48.334 where: short stacking energy: -20.350 Base-Backbone interact. energy: 3.204 local terms energy: -45.534465 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: 0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -229.289185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.289185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.289185 (E_RNA) where: Base-Base interactions energy: -149.273 where: short stacking energy: -72.343 Base-Backbone interact. energy: -0.413 local terms energy: -79.602685 where: bonds (distance) C4'-P energy: -16.901 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -18.647 flat angles P-C4'-P energy: -10.336 tors. eta vs tors. theta energy: -17.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -189.880292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.880292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.880292 (E_RNA) where: Base-Base interactions energy: -120.519 where: short stacking energy: -62.906 Base-Backbone interact. energy: -0.011 local terms energy: -69.350360 where: bonds (distance) C4'-P energy: -16.102 bonds (distance) P-C4' energy: -16.083 flat angles C4'-P-C4' energy: -16.733 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -16.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -157.361238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.361238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.361238 (E_RNA) where: Base-Base interactions energy: -96.173 where: short stacking energy: -44.975 Base-Backbone interact. energy: -0.160 local terms energy: -61.028254 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -7.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -160.515566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.515566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.515566 (E_RNA) where: Base-Base interactions energy: -105.535 where: short stacking energy: -44.532 Base-Backbone interact. energy: -0.388 local terms energy: -54.592794 where: bonds (distance) C4'-P energy: -17.588 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -10.443 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -3.934 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: 5, replica: 10 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -169.258083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.258083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.258083 (E_RNA) where: Base-Base interactions energy: -104.156 where: short stacking energy: -51.078 Base-Backbone interact. energy: -0.719 local terms energy: -64.383854 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -11.887 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: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -151.761438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.761438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.761438 (E_RNA) where: Base-Base interactions energy: -88.675 where: short stacking energy: -45.597 Base-Backbone interact. energy: -0.201 local terms energy: -62.885186 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -16.816 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -10.661 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: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -158.315250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.315250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.315250 (E_RNA) where: Base-Base interactions energy: -88.965 where: short stacking energy: -47.147 Base-Backbone interact. energy: -0.233 local terms energy: -69.116410 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -17.699 flat angles C4'-P-C4' energy: -16.084 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -85.404271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.404271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.404271 (E_RNA) where: Base-Base interactions energy: -33.254 where: short stacking energy: -24.931 Base-Backbone interact. energy: -0.439 local terms energy: -51.711696 where: bonds (distance) C4'-P energy: -10.340 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -8.187 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -80.979486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.979486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.979486 (E_RNA) where: Base-Base interactions energy: -37.013 where: short stacking energy: -32.360 Base-Backbone interact. energy: -0.009 local terms energy: -43.957534 where: bonds (distance) C4'-P energy: -15.234 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -3.390 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: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -72.952567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.952567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.952567 (E_RNA) where: Base-Base interactions energy: -29.552 where: short stacking energy: -29.552 Base-Backbone interact. energy: -1.280 local terms energy: -42.120157 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -8.703 flat angles C4'-P-C4' energy: -11.006 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -222.154621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.154621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.154621 (E_RNA) where: Base-Base interactions energy: -147.333 where: short stacking energy: -70.405 Base-Backbone interact. energy: -1.057 local terms energy: -73.764276 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -13.422 tors. eta vs tors. theta energy: -16.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -195.221296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.221296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.221296 (E_RNA) where: Base-Base interactions energy: -129.407 where: short stacking energy: -60.750 Base-Backbone interact. energy: -0.038 local terms energy: -65.776566 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -16.274 flat angles P-C4'-P energy: -8.932 tors. eta vs tors. theta energy: -17.103 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: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -168.952699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.952699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.952699 (E_RNA) where: Base-Base interactions energy: -100.387 where: short stacking energy: -60.592 Base-Backbone interact. energy: -0.100 local terms energy: -68.466019 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -16.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -168.183149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.183149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.183149 (E_RNA) where: Base-Base interactions energy: -109.352 where: short stacking energy: -47.932 Base-Backbone interact. energy: -0.140 local terms energy: -58.690973 where: bonds (distance) C4'-P energy: -10.220 bonds (distance) P-C4' energy: -15.111 flat angles C4'-P-C4' energy: -13.078 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -7.573 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: 5, replica: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -170.094054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.094054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.094054 (E_RNA) where: Base-Base interactions energy: -105.497 where: short stacking energy: -62.836 Base-Backbone interact. energy: 0.066 local terms energy: -64.662271 where: bonds (distance) C4'-P energy: -8.892 bonds (distance) P-C4' energy: -16.161 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -15.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -144.809352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.809352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.809352 (E_RNA) where: Base-Base interactions energy: -86.748 where: short stacking energy: -37.516 Base-Backbone interact. energy: -0.934 local terms energy: -57.126962 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -153.858188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.858188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.858188 (E_RNA) where: Base-Base interactions energy: -96.282 where: short stacking energy: -56.732 Base-Backbone interact. energy: -0.005 local terms energy: -57.571484 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -12.083 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -86.381988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.381988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.381988 (E_RNA) where: Base-Base interactions energy: -34.266 where: short stacking energy: -28.268 Base-Backbone interact. energy: -0.551 local terms energy: -51.565207 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -16.182 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -8.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -90.063699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.063699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.063699 (E_RNA) where: Base-Base interactions energy: -46.428 where: short stacking energy: -31.863 Base-Backbone interact. energy: -0.228 local terms energy: -43.408114 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: 1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -88.612247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.612247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.612247 (E_RNA) where: Base-Base interactions energy: -30.813 where: short stacking energy: -30.813 Base-Backbone interact. energy: -0.081 local terms energy: -57.718115 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -6.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -223.618816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.618816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.618816 (E_RNA) where: Base-Base interactions energy: -150.217 where: short stacking energy: -74.587 Base-Backbone interact. energy: -0.916 local terms energy: -72.485014 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -16.886 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -19.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -191.265922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.265922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.265922 (E_RNA) where: Base-Base interactions energy: -114.547 where: short stacking energy: -74.469 Base-Backbone interact. energy: -0.331 local terms energy: -76.388124 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -21.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -174.260999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.260999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.260999 (E_RNA) where: Base-Base interactions energy: -104.482 where: short stacking energy: -53.774 Base-Backbone interact. energy: -0.026 local terms energy: -69.753168 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -17.445 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -13.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -180.430524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.430524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.430524 (E_RNA) where: Base-Base interactions energy: -115.956 where: short stacking energy: -71.831 Base-Backbone interact. energy: -0.027 local terms energy: -64.448018 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -15.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -151.292585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.292585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.292585 (E_RNA) where: Base-Base interactions energy: -91.482 where: short stacking energy: -42.586 Base-Backbone interact. energy: -1.447 local terms energy: -58.363487 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -15.114 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -11.498 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -163.669008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.669008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.669008 (E_RNA) where: Base-Base interactions energy: -97.924 where: short stacking energy: -47.906 Base-Backbone interact. energy: -0.158 local terms energy: -65.586824 where: bonds (distance) C4'-P energy: -14.310 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -12.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -153.490895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.490895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.490895 (E_RNA) where: Base-Base interactions energy: -91.421 where: short stacking energy: -48.244 Base-Backbone interact. energy: -0.321 local terms energy: -61.748971 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -7.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -79.347924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.347924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.347924 (E_RNA) where: Base-Base interactions energy: -36.791 where: short stacking energy: -27.698 Base-Backbone interact. energy: -0.933 local terms energy: -41.623838 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -10.024 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -80.482323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.482323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.482323 (E_RNA) where: Base-Base interactions energy: -27.497 where: short stacking energy: -26.580 Base-Backbone interact. energy: -0.073 local terms energy: -52.912575 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -15.804 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -78.823353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.823353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.823353 (E_RNA) where: Base-Base interactions energy: -29.287 where: short stacking energy: -26.095 Base-Backbone interact. energy: -0.053 local terms energy: -49.483754 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -9.738 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -12.995 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -228.148183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.148183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.148183 (E_RNA) where: Base-Base interactions energy: -149.716 where: short stacking energy: -73.964 Base-Backbone interact. energy: -0.014 local terms energy: -78.418648 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -16.846 flat angles C4'-P-C4' energy: -16.423 flat angles P-C4'-P energy: -14.359 tors. eta vs tors. theta energy: -17.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -204.203804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.203804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.203804 (E_RNA) where: Base-Base interactions energy: -135.567 where: short stacking energy: -59.264 Base-Backbone interact. energy: -0.273 local terms energy: -68.363104 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -18.168 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -181.049714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.049714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.049714 (E_RNA) where: Base-Base interactions energy: -110.729 where: short stacking energy: -67.707 Base-Backbone interact. energy: -0.038 local terms energy: -70.282634 where: bonds (distance) C4'-P energy: -13.685 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -190.404642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.404642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.404642 (E_RNA) where: Base-Base interactions energy: -120.775 where: short stacking energy: -52.736 Base-Backbone interact. energy: -0.014 local terms energy: -69.615966 where: bonds (distance) C4'-P energy: -14.260 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -12.067 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: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -171.085939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.085939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.085939 (E_RNA) where: Base-Base interactions energy: -101.071 where: short stacking energy: -61.638 Base-Backbone interact. energy: -0.152 local terms energy: -69.862358 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -12.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -149.386075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.386075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.386075 (E_RNA) where: Base-Base interactions energy: -92.272 where: short stacking energy: -52.219 Base-Backbone interact. energy: -0.046 local terms energy: -57.068268 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -15.123 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -8.499 tors. eta vs tors. theta energy: -9.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -143.485593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.485593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.485593 (E_RNA) where: Base-Base interactions energy: -85.070 where: short stacking energy: -43.650 Base-Backbone interact. energy: -0.002 local terms energy: -58.412661 where: bonds (distance) C4'-P energy: -15.353 bonds (distance) P-C4' energy: -17.418 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -87.425897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.425897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.425897 (E_RNA) where: Base-Base interactions energy: -34.852 where: short stacking energy: -34.852 Base-Backbone interact. energy: -0.102 local terms energy: -52.471700 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -8.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -95.176360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.176360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.176360 (E_RNA) where: Base-Base interactions energy: -48.232 where: short stacking energy: -39.078 Base-Backbone interact. energy: -0.155 local terms energy: -46.789275 where: bonds (distance) C4'-P energy: -7.781 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -78.383963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.383963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.383963 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -24.674 Base-Backbone interact. energy: -0.019 local terms energy: -52.337471 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -224.722466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.722466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.722466 (E_RNA) where: Base-Base interactions energy: -147.043 where: short stacking energy: -70.554 Base-Backbone interact. energy: -0.738 local terms energy: -76.940874 where: bonds (distance) C4'-P energy: -16.921 bonds (distance) P-C4' energy: -16.180 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -19.803 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: 2, replica: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -207.545938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.545938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.545938 (E_RNA) where: Base-Base interactions energy: -139.594 where: short stacking energy: -60.216 Base-Backbone interact. energy: -0.331 local terms energy: -67.620983 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -15.035 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -175.511282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.511282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.511282 (E_RNA) where: Base-Base interactions energy: -107.042 where: short stacking energy: -66.012 Base-Backbone interact. energy: -0.364 local terms energy: -68.105283 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -18.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -171.391811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.391811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.391811 (E_RNA) where: Base-Base interactions energy: -107.677 where: short stacking energy: -55.425 Base-Backbone interact. energy: -0.009 local terms energy: -63.705355 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -13.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -169.510698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.510698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.510698 (E_RNA) where: Base-Base interactions energy: -114.282 where: short stacking energy: -55.972 Base-Backbone interact. energy: -0.028 local terms energy: -55.200683 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -14.813 flat angles C4'-P-C4' energy: -11.508 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -11.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -152.878475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.878475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.878475 (E_RNA) where: Base-Base interactions energy: -88.937 where: short stacking energy: -50.784 Base-Backbone interact. energy: -0.180 local terms energy: -63.761443 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -12.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -160.343665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.343665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.343665 (E_RNA) where: Base-Base interactions energy: -93.113 where: short stacking energy: -52.462 Base-Backbone interact. energy: -0.086 local terms energy: -67.143899 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -17.228 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -12.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -92.180892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.180892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.180892 (E_RNA) where: Base-Base interactions energy: -50.210 where: short stacking energy: -28.193 Base-Backbone interact. energy: -0.800 local terms energy: -41.170837 where: bonds (distance) C4'-P energy: -1.840 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -13.041 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -90.248487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.248487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.248487 (E_RNA) where: Base-Base interactions energy: -30.704 where: short stacking energy: -30.704 Base-Backbone interact. energy: -0.166 local terms energy: -59.379046 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -74.144282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.144282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.144282 (E_RNA) where: Base-Base interactions energy: -28.621 where: short stacking energy: -15.751 Base-Backbone interact. energy: -0.322 local terms energy: -45.200776 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -6.697 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -220.205581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.205581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.205581 (E_RNA) where: Base-Base interactions energy: -139.228 where: short stacking energy: -60.439 Base-Backbone interact. energy: -1.008 local terms energy: -79.970086 where: bonds (distance) C4'-P energy: -14.417 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -16.352 flat angles P-C4'-P energy: -13.497 tors. eta vs tors. theta energy: -19.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -226.234355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.234355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.234355 (E_RNA) where: Base-Base interactions energy: -146.037 where: short stacking energy: -73.409 Base-Backbone interact. energy: 0.583 local terms energy: -80.780838 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -17.935 flat angles C4'-P-C4' energy: -18.152 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -19.344 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: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -175.766532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.766532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.766532 (E_RNA) where: Base-Base interactions energy: -102.201 where: short stacking energy: -51.289 Base-Backbone interact. energy: -0.186 local terms energy: -73.379744 where: bonds (distance) C4'-P energy: -15.282 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -16.071 flat angles P-C4'-P energy: -12.582 tors. eta vs tors. theta energy: -16.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -175.544805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.544805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.544805 (E_RNA) where: Base-Base interactions energy: -112.176 where: short stacking energy: -67.637 Base-Backbone interact. energy: -0.073 local terms energy: -63.295752 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -11.677 tors. eta vs tors. theta energy: -22.008 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: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -159.692850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.692850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.692850 (E_RNA) where: Base-Base interactions energy: -93.653 where: short stacking energy: -45.968 Base-Backbone interact. energy: -0.003 local terms energy: -66.037231 where: bonds (distance) C4'-P energy: -16.305 bonds (distance) P-C4' energy: -15.837 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -13.227 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -158.420609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.420609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.420609 (E_RNA) where: Base-Base interactions energy: -96.966 where: short stacking energy: -45.879 Base-Backbone interact. energy: -0.025 local terms energy: -61.429677 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -15.921 flat angles C4'-P-C4' energy: -10.256 flat angles P-C4'-P energy: -9.636 tors. eta vs tors. theta energy: -8.913 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: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -145.952013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.952013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.952013 (E_RNA) where: Base-Base interactions energy: -88.909 where: short stacking energy: -44.938 Base-Backbone interact. energy: -0.781 local terms energy: -56.261428 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -15.823 flat angles C4'-P-C4' energy: -16.012 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -6.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -88.579406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.579406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.579406 (E_RNA) where: Base-Base interactions energy: -36.052 where: short stacking energy: -32.107 Base-Backbone interact. energy: -0.237 local terms energy: -52.290748 where: bonds (distance) C4'-P energy: -15.700 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -7.461 tors. eta vs tors. theta energy: -8.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -78.007891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.007891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.007891 (E_RNA) where: Base-Base interactions energy: -26.199 where: short stacking energy: -24.585 Base-Backbone interact. energy: -0.839 local terms energy: -50.970054 where: bonds (distance) C4'-P energy: -16.239 bonds (distance) P-C4' energy: -11.772 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -81.277949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.277949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.277949 (E_RNA) where: Base-Base interactions energy: -35.180 where: short stacking energy: -31.865 Base-Backbone interact. energy: 0.075 local terms energy: -46.173256 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -12.608 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -222.961637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.961637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.961637 (E_RNA) where: Base-Base interactions energy: -146.163 where: short stacking energy: -68.418 Base-Backbone interact. energy: -0.104 local terms energy: -76.694640 where: bonds (distance) C4'-P energy: -16.739 bonds (distance) P-C4' energy: -16.982 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -18.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -208.602374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.602374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.602374 (E_RNA) where: Base-Base interactions energy: -135.527 where: short stacking energy: -60.763 Base-Backbone interact. energy: -0.407 local terms energy: -72.668063 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -16.815 flat angles P-C4'-P energy: -12.016 tors. eta vs tors. theta energy: -14.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -173.895264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.895264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.895264 (E_RNA) where: Base-Base interactions energy: -102.529 where: short stacking energy: -56.642 Base-Backbone interact. energy: 0.398 local terms energy: -71.764952 where: bonds (distance) C4'-P energy: -8.729 bonds (distance) P-C4' energy: -18.408 flat angles C4'-P-C4' energy: -16.012 flat angles P-C4'-P energy: -12.573 tors. eta vs tors. theta energy: -16.044 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: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -188.863016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.863016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.863016 (E_RNA) where: Base-Base interactions energy: -124.284 where: short stacking energy: -59.502 Base-Backbone interact. energy: -0.780 local terms energy: -63.798841 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -15.139 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -12.495 tors. eta vs tors. theta energy: -10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -175.051336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.051336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.051336 (E_RNA) where: Base-Base interactions energy: -108.399 where: short stacking energy: -56.409 Base-Backbone interact. energy: -0.106 local terms energy: -66.546618 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -16.065 flat angles C4'-P-C4' energy: -14.958 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -13.871 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: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -155.108166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.108166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.108166 (E_RNA) where: Base-Base interactions energy: -97.754 where: short stacking energy: -52.292 Base-Backbone interact. energy: -0.172 local terms energy: -57.181405 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -12.703 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -153.636537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.636537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.636537 (E_RNA) where: Base-Base interactions energy: -95.370 where: short stacking energy: -53.366 Base-Backbone interact. energy: -0.131 local terms energy: -58.135873 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -15.201 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -10.589 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: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -90.853254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.853254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.853254 (E_RNA) where: Base-Base interactions energy: -34.621 where: short stacking energy: -35.221 Base-Backbone interact. energy: -0.005 local terms energy: -56.227078 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -13.287 flat angles C4'-P-C4' energy: -16.279 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -6.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -80.705928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.705928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.705928 (E_RNA) where: Base-Base interactions energy: -27.238 where: short stacking energy: -27.011 Base-Backbone interact. energy: 0.054 local terms energy: -53.522229 where: bonds (distance) C4'-P energy: -15.924 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -74.331835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.331835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.331835 (E_RNA) where: Base-Base interactions energy: -19.127 where: short stacking energy: -19.127 Base-Backbone interact. energy: -0.287 local terms energy: -54.918762 where: bonds (distance) C4'-P energy: -16.242 bonds (distance) P-C4' energy: -17.154 flat angles C4'-P-C4' energy: -9.702 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: -0.420 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: 1, replica: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -217.393317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.393317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.393317 (E_RNA) where: Base-Base interactions energy: -144.200 where: short stacking energy: -67.260 Base-Backbone interact. energy: -0.102 local terms energy: -73.091197 where: bonds (distance) C4'-P energy: -11.620 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: -19.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -214.324671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.324671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.324671 (E_RNA) where: Base-Base interactions energy: -140.444 where: short stacking energy: -72.213 Base-Backbone interact. energy: -0.075 local terms energy: -73.805213 where: bonds (distance) C4'-P energy: -14.675 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -179.453725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.453725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.453725 (E_RNA) where: Base-Base interactions energy: -114.436 where: short stacking energy: -50.721 Base-Backbone interact. energy: -0.748 local terms energy: -64.269141 where: bonds (distance) C4'-P energy: -16.408 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -15.798 flat angles P-C4'-P energy: -8.117 tors. eta vs tors. theta energy: -9.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -172.103043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.103043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.103043 (E_RNA) where: Base-Base interactions energy: -122.384 where: short stacking energy: -53.168 Base-Backbone interact. energy: -0.252 local terms energy: -49.467247 where: bonds (distance) C4'-P energy: -9.135 bonds (distance) P-C4' energy: -15.690 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -162.701100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.701100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.701100 (E_RNA) where: Base-Base interactions energy: -100.128 where: short stacking energy: -49.178 Base-Backbone interact. energy: -0.619 local terms energy: -61.953787 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -15.314 flat angles C4'-P-C4' energy: -14.535 flat angles P-C4'-P energy: -11.034 tors. eta vs tors. theta energy: -9.017 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: 10 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -147.648489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.648489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.648489 (E_RNA) where: Base-Base interactions energy: -92.746 where: short stacking energy: -45.802 Base-Backbone interact. energy: -0.134 local terms energy: -54.767963 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -11.412 flat angles P-C4'-P energy: -7.540 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -82.288838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.288838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.288838 (E_RNA) where: Base-Base interactions energy: -31.657 where: short stacking energy: -31.744 Base-Backbone interact. energy: 0.193 local terms energy: -50.824231 where: bonds (distance) C4'-P energy: -14.637 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -146.785283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.785283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.785283 (E_RNA) where: Base-Base interactions energy: -97.248 where: short stacking energy: -48.202 Base-Backbone interact. energy: -0.089 local terms energy: -49.448086 where: bonds (distance) C4'-P energy: -7.321 bonds (distance) P-C4' energy: -7.454 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -11.086 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: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -89.237644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.237644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.237644 (E_RNA) where: Base-Base interactions energy: -39.187 where: short stacking energy: -27.136 Base-Backbone interact. energy: -0.064 local terms energy: -49.986585 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -15.967 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -2.277 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: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -76.887562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.887562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.887562 (E_RNA) where: Base-Base interactions energy: -26.450 where: short stacking energy: -21.733 Base-Backbone interact. energy: -0.143 local terms energy: -50.294466 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -15.432 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -215.694354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.694354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.694354 (E_RNA) where: Base-Base interactions energy: -143.438 where: short stacking energy: -64.202 Base-Backbone interact. energy: 0.474 local terms energy: -72.731090 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -11.587 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -223.381143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.381143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.381143 (E_RNA) where: Base-Base interactions energy: -146.380 where: short stacking energy: -68.871 Base-Backbone interact. energy: -0.293 local terms energy: -76.708595 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -17.959 flat angles P-C4'-P energy: -12.594 tors. eta vs tors. theta energy: -15.928 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: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -169.612656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.612656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.612656 (E_RNA) where: Base-Base interactions energy: -104.002 where: short stacking energy: -54.307 Base-Backbone interact. energy: -0.598 local terms energy: -65.012095 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -15.188 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -15.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -161.483885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.483885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.483885 (E_RNA) where: Base-Base interactions energy: -95.829 where: short stacking energy: -54.086 Base-Backbone interact. energy: 0.462 local terms energy: -66.116403 where: bonds (distance) C4'-P energy: -9.238 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -12.691 tors. eta vs tors. theta energy: -11.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -151.776400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.776400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.776400 (E_RNA) where: Base-Base interactions energy: -86.602 where: short stacking energy: -40.464 Base-Backbone interact. energy: -1.270 local terms energy: -63.903828 where: bonds (distance) C4'-P energy: -14.943 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -10.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -159.266462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.266462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.266462 (E_RNA) where: Base-Base interactions energy: -90.932 where: short stacking energy: -44.613 Base-Backbone interact. energy: -0.064 local terms energy: -68.270026 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -17.827 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -10.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -88.849040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.849040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.849040 (E_RNA) where: Base-Base interactions energy: -37.686 where: short stacking energy: -37.686 Base-Backbone interact. energy: -0.150 local terms energy: -51.012787 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -143.300854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.300854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.300854 (E_RNA) where: Base-Base interactions energy: -85.671 where: short stacking energy: -41.436 Base-Backbone interact. energy: -0.114 local terms energy: -57.515379 where: bonds (distance) C4'-P energy: -13.452 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -10.388 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: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -81.867133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.867133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.867133 (E_RNA) where: Base-Base interactions energy: -30.927 where: short stacking energy: -29.490 Base-Backbone interact. energy: 0.047 local terms energy: -50.987273 where: bonds (distance) C4'-P energy: -16.144 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -0.710 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: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -80.346932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.346932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.346932 (E_RNA) where: Base-Base interactions energy: -27.447 where: short stacking energy: -27.447 Base-Backbone interact. energy: -0.101 local terms energy: -52.799245 where: bonds (distance) C4'-P energy: -10.964 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -10.486 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -7.197 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: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -227.433696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.433696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.433696 (E_RNA) where: Base-Base interactions energy: -151.958 where: short stacking energy: -72.166 Base-Backbone interact. energy: -0.724 local terms energy: -74.750967 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -8.158 tors. eta vs tors. theta energy: -21.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -206.098744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.098744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.098744 (E_RNA) where: Base-Base interactions energy: -129.908 where: short stacking energy: -57.514 Base-Backbone interact. energy: -0.015 local terms energy: -76.176120 where: bonds (distance) C4'-P energy: -16.917 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -14.768 flat angles P-C4'-P energy: -11.718 tors. eta vs tors. theta energy: -18.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -173.722949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.722949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.722949 (E_RNA) where: Base-Base interactions energy: -103.197 where: short stacking energy: -60.905 Base-Backbone interact. energy: -0.737 local terms energy: -69.789357 where: bonds (distance) C4'-P energy: -9.844 bonds (distance) P-C4' energy: -16.320 flat angles C4'-P-C4' energy: -19.215 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -18.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -167.519772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.519772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.519772 (E_RNA) where: Base-Base interactions energy: -106.360 where: short stacking energy: -55.611 Base-Backbone interact. energy: -0.144 local terms energy: -61.016657 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -16.582 flat angles C4'-P-C4' energy: -12.171 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -10.731 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: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -160.490032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.490032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.490032 (E_RNA) where: Base-Base interactions energy: -103.158 where: short stacking energy: -57.613 Base-Backbone interact. energy: -0.263 local terms energy: -57.068386 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -8.807 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -11.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -160.508783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.508783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.508783 (E_RNA) where: Base-Base interactions energy: -94.876 where: short stacking energy: -48.220 Base-Backbone interact. energy: -0.061 local terms energy: -65.572439 where: bonds (distance) C4'-P energy: -16.190 bonds (distance) P-C4' energy: -11.034 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -12.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -155.194898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.194898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.194898 (E_RNA) where: Base-Base interactions energy: -97.197 where: short stacking energy: -49.725 Base-Backbone interact. energy: -0.052 local terms energy: -57.945567 where: bonds (distance) C4'-P energy: -16.380 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -6.056 tors. eta vs tors. theta energy: -10.110 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: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -88.412982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.412982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.412982 (E_RNA) where: Base-Base interactions energy: -38.880 where: short stacking energy: -38.880 Base-Backbone interact. energy: -0.008 local terms energy: -49.524980 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -2.482 tors. eta vs tors. theta energy: -6.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -86.608767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.608767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.608767 (E_RNA) where: Base-Base interactions energy: -29.880 where: short stacking energy: -29.880 Base-Backbone interact. energy: -0.121 local terms energy: -56.607786 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -10.344 flat angles P-C4'-P energy: -11.238 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -76.606760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.606760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.606760 (E_RNA) where: Base-Base interactions energy: -37.663 where: short stacking energy: -20.406 Base-Backbone interact. energy: -0.058 local terms energy: -38.885377 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -9.244 flat angles C4'-P-C4' energy: -9.939 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: 3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -227.033336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.033336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.033336 (E_RNA) where: Base-Base interactions energy: -151.320 where: short stacking energy: -77.993 Base-Backbone interact. energy: -0.436 local terms energy: -75.277078 where: bonds (distance) C4'-P energy: -10.431 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -16.669 flat angles P-C4'-P energy: -12.023 tors. eta vs tors. theta energy: -20.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -179.022421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.022421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.022421 (E_RNA) where: Base-Base interactions energy: -106.047 where: short stacking energy: -62.634 Base-Backbone interact. energy: -0.559 local terms energy: -72.416476 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -15.388 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -187.537436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.537436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.537436 (E_RNA) where: Base-Base interactions energy: -122.958 where: short stacking energy: -55.521 Base-Backbone interact. energy: -0.216 local terms energy: -64.363668 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -14.836 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -14.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -169.528722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.528722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.528722 (E_RNA) where: Base-Base interactions energy: -99.864 where: short stacking energy: -54.294 Base-Backbone interact. energy: -0.869 local terms energy: -68.796120 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -16.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -160.719086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.719086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.719086 (E_RNA) where: Base-Base interactions energy: -96.212 where: short stacking energy: -53.198 Base-Backbone interact. energy: -0.865 local terms energy: -63.642165 where: bonds (distance) C4'-P energy: -16.012 bonds (distance) P-C4' energy: -16.891 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -11.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -159.203824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.203824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.203824 (E_RNA) where: Base-Base interactions energy: -97.386 where: short stacking energy: -53.722 Base-Backbone interact. energy: 0.027 local terms energy: -61.845145 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -158.858168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.858168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.858168 (E_RNA) where: Base-Base interactions energy: -93.476 where: short stacking energy: -54.010 Base-Backbone interact. energy: -0.088 local terms energy: -65.293378 where: bonds (distance) C4'-P energy: -13.328 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -14.087 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -12.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -92.637730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.637730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.637730 (E_RNA) where: Base-Base interactions energy: -30.719 where: short stacking energy: -30.719 Base-Backbone interact. energy: -0.096 local terms energy: -61.823207 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -15.074 flat angles C4'-P-C4' energy: -15.437 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -8.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -74.780464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.780464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.780464 (E_RNA) where: Base-Base interactions energy: -22.831 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.242 local terms energy: -51.707637 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -7.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -73.106167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.106167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.106167 (E_RNA) where: Base-Base interactions energy: -20.459 where: short stacking energy: -20.459 Base-Backbone interact. energy: -0.119 local terms energy: -52.528155 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -0.661 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: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -226.455233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.455233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.455233 (E_RNA) where: Base-Base interactions energy: -147.628 where: short stacking energy: -69.403 Base-Backbone interact. energy: -0.505 local terms energy: -78.323160 where: bonds (distance) C4'-P energy: -17.568 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -11.788 tors. eta vs tors. theta energy: -18.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -195.227788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.227788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.227788 (E_RNA) where: Base-Base interactions energy: -118.200 where: short stacking energy: -71.744 Base-Backbone interact. energy: -1.413 local terms energy: -75.615082 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -17.559 flat angles C4'-P-C4' energy: -15.752 flat angles P-C4'-P energy: -12.371 tors. eta vs tors. theta energy: -17.731 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: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -172.060414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.060414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.060414 (E_RNA) where: Base-Base interactions energy: -106.703 where: short stacking energy: -59.960 Base-Backbone interact. energy: -0.056 local terms energy: -65.302093 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -14.040 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -11.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -164.806640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.806640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.806640 (E_RNA) where: Base-Base interactions energy: -97.354 where: short stacking energy: -54.924 Base-Backbone interact. energy: -0.002 local terms energy: -67.451025 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -16.920 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -11.821 tors. eta vs tors. theta energy: -12.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -165.044218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.044218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.044218 (E_RNA) where: Base-Base interactions energy: -101.148 where: short stacking energy: -55.454 Base-Backbone interact. energy: -0.094 local terms energy: -63.802117 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -16.458 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -11.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -160.440212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.440212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.440212 (E_RNA) where: Base-Base interactions energy: -104.211 where: short stacking energy: -58.931 Base-Backbone interact. energy: -0.081 local terms energy: -56.148683 where: bonds (distance) C4'-P energy: -10.703 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -14.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -146.910881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.910881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.910881 (E_RNA) where: Base-Base interactions energy: -90.375 where: short stacking energy: -40.745 Base-Backbone interact. energy: -0.159 local terms energy: -56.376771 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -6.827 tors. eta vs tors. theta energy: -7.866 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: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -89.957270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.957270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.957270 (E_RNA) where: Base-Base interactions energy: -45.634 where: short stacking energy: -34.195 Base-Backbone interact. energy: -0.082 local terms energy: -44.241179 where: bonds (distance) C4'-P energy: -10.612 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -0.349 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: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -84.619793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.619793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.619793 (E_RNA) where: Base-Base interactions energy: -33.593 where: short stacking energy: -26.294 Base-Backbone interact. energy: -0.082 local terms energy: -50.944629 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -89.026060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.026060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.026060 (E_RNA) where: Base-Base interactions energy: -35.688 where: short stacking energy: -33.812 Base-Backbone interact. energy: -0.066 local terms energy: -53.272788 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -10.115 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -9.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -217.755896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.755896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.755896 (E_RNA) where: Base-Base interactions energy: -141.716 where: short stacking energy: -65.729 Base-Backbone interact. energy: -0.491 local terms energy: -75.548388 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -17.802 flat angles P-C4'-P energy: -11.641 tors. eta vs tors. theta energy: -16.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -182.643177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.643177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.643177 (E_RNA) where: Base-Base interactions energy: -111.372 where: short stacking energy: -64.388 Base-Backbone interact. energy: -0.027 local terms energy: -71.243569 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -16.287 flat angles C4'-P-C4' energy: -16.668 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -18.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -180.554225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.554225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.554225 (E_RNA) where: Base-Base interactions energy: -113.318 where: short stacking energy: -63.774 Base-Backbone interact. energy: -0.268 local terms energy: -66.967414 where: bonds (distance) C4'-P energy: -15.676 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -16.309 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: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -189.257833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.257833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.257833 (E_RNA) where: Base-Base interactions energy: -110.942 where: short stacking energy: -65.593 Base-Backbone interact. energy: -0.019 local terms energy: -78.296779 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -17.095 flat angles C4'-P-C4' energy: -17.322 flat angles P-C4'-P energy: -11.972 tors. eta vs tors. theta energy: -19.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -163.496728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.496728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.496728 (E_RNA) where: Base-Base interactions energy: -96.118 where: short stacking energy: -51.390 Base-Backbone interact. energy: -0.201 local terms energy: -67.177592 where: bonds (distance) C4'-P energy: -14.085 bonds (distance) P-C4' energy: -13.217 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -13.686 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: 7 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -160.494241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.494241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.494241 (E_RNA) where: Base-Base interactions energy: -98.045 where: short stacking energy: -55.801 Base-Backbone interact. energy: -0.183 local terms energy: -62.266235 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -10.292 tors. eta vs tors. theta energy: -14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -156.514360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.514360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.514360 (E_RNA) where: Base-Base interactions energy: -94.996 where: short stacking energy: -52.726 Base-Backbone interact. energy: -0.123 local terms energy: -61.396055 where: bonds (distance) C4'-P energy: -15.538 bonds (distance) P-C4' energy: -12.960 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -11.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -86.433292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.433292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.433292 (E_RNA) where: Base-Base interactions energy: -34.819 where: short stacking energy: -28.565 Base-Backbone interact. energy: -0.971 local terms energy: -50.643002 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -11.782 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -83.859329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.859329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.859329 (E_RNA) where: Base-Base interactions energy: -32.182 where: short stacking energy: -32.182 Base-Backbone interact. energy: 0.236 local terms energy: -51.913051 where: bonds (distance) C4'-P energy: -9.566 bonds (distance) P-C4' energy: -11.170 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -11.570 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -75.205179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.205179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.205179 (E_RNA) where: Base-Base interactions energy: -23.328 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.113 local terms energy: -51.763908 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -17.396 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: 1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -187.508383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.508383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.508383 (E_RNA) where: Base-Base interactions energy: -113.091 where: short stacking energy: -73.479 Base-Backbone interact. energy: -0.013 local terms energy: -74.405265 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -14.461 flat angles C4'-P-C4' energy: -16.211 flat angles P-C4'-P energy: -12.343 tors. eta vs tors. theta energy: -16.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -222.798994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.798994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.798994 (E_RNA) where: Base-Base interactions energy: -147.840 where: short stacking energy: -71.695 Base-Backbone interact. energy: -0.530 local terms energy: -74.429400 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -12.999 flat angles C4'-P-C4' energy: -15.826 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -19.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -184.151913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.151913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.151913 (E_RNA) where: Base-Base interactions energy: -113.689 where: short stacking energy: -69.637 Base-Backbone interact. energy: -0.056 local terms energy: -70.407666 where: bonds (distance) C4'-P energy: -16.511 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -20.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -176.391564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.391564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.391564 (E_RNA) where: Base-Base interactions energy: -105.272 where: short stacking energy: -64.228 Base-Backbone interact. energy: -0.132 local terms energy: -70.986938 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -16.663 flat angles C4'-P-C4' energy: -17.213 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -14.859 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: 162 Temperature: 1.100000 Total energy: -156.088890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.088890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.088890 (E_RNA) where: Base-Base interactions energy: -95.965 where: short stacking energy: -45.985 Base-Backbone interact. energy: -0.151 local terms energy: -59.972132 where: bonds (distance) C4'-P energy: -17.585 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -166.091635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.091635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.091635 (E_RNA) where: Base-Base interactions energy: -95.817 where: short stacking energy: -44.889 Base-Backbone interact. energy: -0.001 local terms energy: -70.273935 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -15.210 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -9.405 tors. eta vs tors. theta energy: -17.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -161.094952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.094952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.094952 (E_RNA) where: Base-Base interactions energy: -91.390 where: short stacking energy: -46.408 Base-Backbone interact. energy: -0.252 local terms energy: -69.453362 where: bonds (distance) C4'-P energy: -16.093 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -17.000 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -10.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -95.182842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.182842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.182842 (E_RNA) where: Base-Base interactions energy: -35.933 where: short stacking energy: -34.004 Base-Backbone interact. energy: -0.125 local terms energy: -59.125293 where: bonds (distance) C4'-P energy: -14.195 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -10.055 flat angles P-C4'-P energy: -12.246 tors. eta vs tors. theta energy: -8.810 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: 162 Temperature: 1.300000 Total energy: -88.098383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.098383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.098383 (E_RNA) where: Base-Base interactions energy: -35.447 where: short stacking energy: -32.059 Base-Backbone interact. energy: -0.019 local terms energy: -52.632201 where: bonds (distance) C4'-P energy: -15.240 bonds (distance) P-C4' energy: -16.753 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -95.587253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.587253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.587253 (E_RNA) where: Base-Base interactions energy: -44.972 where: short stacking energy: -44.972 Base-Backbone interact. energy: -0.058 local terms energy: -50.556694 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -11.906 flat angles C4'-P-C4' energy: -10.659 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -193.929936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.929936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.929936 (E_RNA) where: Base-Base interactions energy: -116.622 where: short stacking energy: -72.377 Base-Backbone interact. energy: -0.000 local terms energy: -77.307354 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -15.059 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -21.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -221.778137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.778137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.778137 (E_RNA) where: Base-Base interactions energy: -150.040 where: short stacking energy: -72.733 Base-Backbone interact. energy: -0.162 local terms energy: -71.576194 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -18.015 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: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -163.108636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.108636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.108636 (E_RNA) where: Base-Base interactions energy: -100.711 where: short stacking energy: -60.919 Base-Backbone interact. energy: -0.006 local terms energy: -62.391658 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -12.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -159.849890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.849890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.849890 (E_RNA) where: Base-Base interactions energy: -102.158 where: short stacking energy: -55.933 Base-Backbone interact. energy: -0.157 local terms energy: -57.535199 where: bonds (distance) C4'-P energy: -13.113 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -8.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -166.679056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.679056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.679056 (E_RNA) where: Base-Base interactions energy: -103.789 where: short stacking energy: -46.314 Base-Backbone interact. energy: -0.384 local terms energy: -62.506077 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -10.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -161.990367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.990367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.990367 (E_RNA) where: Base-Base interactions energy: -102.865 where: short stacking energy: -50.765 Base-Backbone interact. energy: 1.330 local terms energy: -60.455099 where: bonds (distance) C4'-P energy: -17.978 bonds (distance) P-C4' energy: -10.314 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -10.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -161.085860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.085860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.085860 (E_RNA) where: Base-Base interactions energy: -95.048 where: short stacking energy: -55.728 Base-Backbone interact. energy: -0.151 local terms energy: -65.886715 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -13.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -92.041083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.041083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.041083 (E_RNA) where: Base-Base interactions energy: -43.223 where: short stacking energy: -25.852 Base-Backbone interact. energy: -0.089 local terms energy: -48.728964 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -85.678313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.678313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.678313 (E_RNA) where: Base-Base interactions energy: -34.083 where: short stacking energy: -34.083 Base-Backbone interact. energy: -0.261 local terms energy: -51.334537 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -75.498217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.498217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.498217 (E_RNA) where: Base-Base interactions energy: -22.726 where: short stacking energy: -22.234 Base-Backbone interact. energy: -0.303 local terms energy: -52.469313 where: bonds (distance) C4'-P energy: -16.396 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.027 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: 0.781 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: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -226.809508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.809508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.809508 (E_RNA) where: Base-Base interactions energy: -151.814 where: short stacking energy: -73.883 Base-Backbone interact. energy: -0.194 local terms energy: -74.801858 where: bonds (distance) C4'-P energy: -15.495 bonds (distance) P-C4' energy: -15.124 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -18.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -170.713291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.713291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.713291 (E_RNA) where: Base-Base interactions energy: -105.749 where: short stacking energy: -52.677 Base-Backbone interact. energy: -0.853 local terms energy: -64.111096 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -12.991 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -14.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -174.212209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.212209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.212209 (E_RNA) where: Base-Base interactions energy: -104.898 where: short stacking energy: -63.583 Base-Backbone interact. energy: -0.121 local terms energy: -69.193999 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -14.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -159.459754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.459754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.459754 (E_RNA) where: Base-Base interactions energy: -94.147 where: short stacking energy: -50.519 Base-Backbone interact. energy: -0.072 local terms energy: -65.240912 where: bonds (distance) C4'-P energy: -15.949 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -12.627 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: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -160.255031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.255031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.255031 (E_RNA) where: Base-Base interactions energy: -94.793 where: short stacking energy: -48.714 Base-Backbone interact. energy: 0.024 local terms energy: -65.486281 where: bonds (distance) C4'-P energy: -15.092 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -11.830 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -163.260120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.260120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.260120 (E_RNA) where: Base-Base interactions energy: -100.343 where: short stacking energy: -50.454 Base-Backbone interact. energy: -0.108 local terms energy: -62.809345 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -16.166 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -10.061 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: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -157.350143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.350143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.350143 (E_RNA) where: Base-Base interactions energy: -91.352 where: short stacking energy: -45.851 Base-Backbone interact. energy: -0.133 local terms energy: -65.865073 where: bonds (distance) C4'-P energy: -17.091 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -11.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -101.968064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.968064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.968064 (E_RNA) where: Base-Base interactions energy: -40.826 where: short stacking energy: -40.826 Base-Backbone interact. energy: -0.165 local terms energy: -60.977254 where: bonds (distance) C4'-P energy: -17.622 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -12.777 tors. eta vs tors. theta energy: -5.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -100.491818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.491818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.491818 (E_RNA) where: Base-Base interactions energy: -63.891 where: short stacking energy: -26.533 Base-Backbone interact. energy: -0.401 local terms energy: -36.199664 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: 2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -82.548266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.548266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.548266 (E_RNA) where: Base-Base interactions energy: -27.007 where: short stacking energy: -27.007 Base-Backbone interact. energy: -0.226 local terms energy: -55.315012 where: bonds (distance) C4'-P energy: -16.689 bonds (distance) P-C4' energy: -12.217 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -223.457161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.457161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.457161 (E_RNA) where: Base-Base interactions energy: -149.796 where: short stacking energy: -70.870 Base-Backbone interact. energy: -0.270 local terms energy: -73.391384 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -12.350 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -11.965 tors. eta vs tors. theta energy: -19.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -189.090740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.090740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.090740 (E_RNA) where: Base-Base interactions energy: -114.512 where: short stacking energy: -63.331 Base-Backbone interact. energy: -0.046 local terms energy: -74.533418 where: bonds (distance) C4'-P energy: -16.110 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -14.312 tors. eta vs tors. theta energy: -13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -163.473311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.473311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.473311 (E_RNA) where: Base-Base interactions energy: -103.395 where: short stacking energy: -47.182 Base-Backbone interact. energy: -0.489 local terms energy: -59.589727 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -10.886 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -153.947539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.947539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.947539 (E_RNA) where: Base-Base interactions energy: -94.497 where: short stacking energy: -46.557 Base-Backbone interact. energy: 0.636 local terms energy: -60.086545 where: bonds (distance) C4'-P energy: -17.647 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -178.018695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.018695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.018695 (E_RNA) where: Base-Base interactions energy: -105.444 where: short stacking energy: -44.345 Base-Backbone interact. energy: -0.131 local terms energy: -72.443452 where: bonds (distance) C4'-P energy: -17.356 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -15.432 tors. eta vs tors. theta energy: -10.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -168.443542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.443542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.443542 (E_RNA) where: Base-Base interactions energy: -99.503 where: short stacking energy: -55.673 Base-Backbone interact. energy: -0.020 local terms energy: -68.920527 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -16.744 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -17.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -150.087371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.087371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.087371 (E_RNA) where: Base-Base interactions energy: -90.725 where: short stacking energy: -49.008 Base-Backbone interact. energy: -0.199 local terms energy: -59.163243 where: bonds (distance) C4'-P energy: -14.621 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -9.975 tors. eta vs tors. theta energy: -8.556 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: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -128.292572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.292572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.292572 (E_RNA) where: Base-Base interactions energy: -72.194 where: short stacking energy: -39.616 Base-Backbone interact. energy: -0.110 local terms energy: -55.988652 where: bonds (distance) C4'-P energy: -9.532 bonds (distance) P-C4' energy: -16.645 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -6.141 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: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -83.802271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.802271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.802271 (E_RNA) where: Base-Base interactions energy: -33.726 where: short stacking energy: -33.694 Base-Backbone interact. energy: -0.455 local terms energy: -49.620801 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -2.095 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: 10, replica: 3 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -81.536300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.536300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.536300 (E_RNA) where: Base-Base interactions energy: -42.787 where: short stacking energy: -26.168 Base-Backbone interact. energy: -0.455 local terms energy: -38.293929 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -9.849 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -224.210917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.210917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.210917 (E_RNA) where: Base-Base interactions energy: -146.261 where: short stacking energy: -70.477 Base-Backbone interact. energy: -0.976 local terms energy: -76.974395 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -16.610 flat angles P-C4'-P energy: -11.189 tors. eta vs tors. theta energy: -19.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -189.505560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.505560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.505560 (E_RNA) where: Base-Base interactions energy: -114.167 where: short stacking energy: -70.687 Base-Backbone interact. energy: -0.001 local terms energy: -75.337463 where: bonds (distance) C4'-P energy: -16.268 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -18.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -171.784145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.784145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.784145 (E_RNA) where: Base-Base interactions energy: -105.063 where: short stacking energy: -53.881 Base-Backbone interact. energy: -0.621 local terms energy: -66.099546 where: bonds (distance) C4'-P energy: -16.811 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -10.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -169.220910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.220910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.220910 (E_RNA) where: Base-Base interactions energy: -99.016 where: short stacking energy: -47.215 Base-Backbone interact. energy: -0.048 local terms energy: -70.156880 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -16.133 flat angles C4'-P-C4' energy: -16.713 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -13.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -152.285955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.285955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.285955 (E_RNA) where: Base-Base interactions energy: -88.155 where: short stacking energy: -42.242 Base-Backbone interact. energy: -0.475 local terms energy: -63.655816 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -11.795 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: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -158.823342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.823342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.823342 (E_RNA) where: Base-Base interactions energy: -95.751 where: short stacking energy: -48.867 Base-Backbone interact. energy: 0.193 local terms energy: -63.264732 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -16.506 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -10.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -139.077704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.077704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.077704 (E_RNA) where: Base-Base interactions energy: -80.992 where: short stacking energy: -40.825 Base-Backbone interact. energy: -0.115 local terms energy: -57.970311 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -17.742 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -146.225247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.225247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.225247 (E_RNA) where: Base-Base interactions energy: -89.863 where: short stacking energy: -45.967 Base-Backbone interact. energy: -0.235 local terms energy: -56.126816 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -9.910 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -10.258 tors. eta vs tors. theta energy: -8.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -92.057713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.057713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.057713 (E_RNA) where: Base-Base interactions energy: -40.378 where: short stacking energy: -39.689 Base-Backbone interact. energy: -0.267 local terms energy: -51.412996 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -6.496 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: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -73.553571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.553571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.553571 (E_RNA) where: Base-Base interactions energy: -27.637 where: short stacking energy: -24.106 Base-Backbone interact. energy: -0.142 local terms energy: -45.774649 where: bonds (distance) C4'-P energy: -7.106 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -9.917 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: -3.772 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: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -226.410246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.410246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.410246 (E_RNA) where: Base-Base interactions energy: -142.820 where: short stacking energy: -67.095 Base-Backbone interact. energy: -0.518 local terms energy: -83.072653 where: bonds (distance) C4'-P energy: -16.027 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -16.901 flat angles P-C4'-P energy: -14.156 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -185.698394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.698394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.698394 (E_RNA) where: Base-Base interactions energy: -115.854 where: short stacking energy: -65.955 Base-Backbone interact. energy: -0.009 local terms energy: -69.835508 where: bonds (distance) C4'-P energy: -14.894 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -17.676 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -17.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -182.605059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.605059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.605059 (E_RNA) where: Base-Base interactions energy: -109.572 where: short stacking energy: -64.872 Base-Backbone interact. energy: 0.322 local terms energy: -73.354717 where: bonds (distance) C4'-P energy: -15.721 bonds (distance) P-C4' energy: -15.096 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -16.341 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: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -168.425213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.425213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.425213 (E_RNA) where: Base-Base interactions energy: -105.598 where: short stacking energy: -51.368 Base-Backbone interact. energy: -0.103 local terms energy: -62.723750 where: bonds (distance) C4'-P energy: -17.216 bonds (distance) P-C4' energy: -9.580 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -12.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -161.712819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.712819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.712819 (E_RNA) where: Base-Base interactions energy: -97.062 where: short stacking energy: -52.047 Base-Backbone interact. energy: -0.037 local terms energy: -64.613736 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -11.691 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -148.370172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.370172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.370172 (E_RNA) where: Base-Base interactions energy: -89.412 where: short stacking energy: -43.333 Base-Backbone interact. energy: -0.242 local terms energy: -58.715387 where: bonds (distance) C4'-P energy: -16.301 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -10.208 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -9.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -156.928578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.928578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.928578 (E_RNA) where: Base-Base interactions energy: -91.407 where: short stacking energy: -43.883 Base-Backbone interact. energy: -0.008 local terms energy: -65.514235 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -104.139934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.139934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.139934 (E_RNA) where: Base-Base interactions energy: -42.843 where: short stacking energy: -36.783 Base-Backbone interact. energy: -0.237 local terms energy: -61.059594 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -17.749 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -6.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -149.712698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.712698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.712698 (E_RNA) where: Base-Base interactions energy: -85.006 where: short stacking energy: -46.810 Base-Backbone interact. energy: 3.008 local terms energy: -67.714755 where: bonds (distance) C4'-P energy: -8.410 bonds (distance) P-C4' energy: -16.599 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -12.952 tors. eta vs tors. theta energy: -16.455 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: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -81.604262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.604262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.604262 (E_RNA) where: Base-Base interactions energy: -34.144 where: short stacking energy: -32.462 Base-Backbone interact. energy: 2.427 local terms energy: -49.887449 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -15.378 flat angles C4'-P-C4' energy: -12.729 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -4.009 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: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -226.708782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.708782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.708782 (E_RNA) where: Base-Base interactions energy: -149.055 where: short stacking energy: -76.496 Base-Backbone interact. energy: -0.657 local terms energy: -76.997180 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -14.813 flat angles P-C4'-P energy: -8.393 tors. eta vs tors. theta energy: -21.935 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: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -197.636496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.636496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.636496 (E_RNA) where: Base-Base interactions energy: -120.624 where: short stacking energy: -69.785 Base-Backbone interact. energy: -0.165 local terms energy: -76.847995 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -17.007 flat angles C4'-P-C4' energy: -16.452 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -17.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -183.064522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.064522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.064522 (E_RNA) where: Base-Base interactions energy: -109.717 where: short stacking energy: -62.443 Base-Backbone interact. energy: 0.109 local terms energy: -73.456861 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -17.921 flat angles C4'-P-C4' energy: -15.404 flat angles P-C4'-P energy: -12.874 tors. eta vs tors. theta energy: -13.326 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: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -176.661090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.661090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.661090 (E_RNA) where: Base-Base interactions energy: -107.302 where: short stacking energy: -47.609 Base-Backbone interact. energy: -0.018 local terms energy: -69.340959 where: bonds (distance) C4'-P energy: -9.808 bonds (distance) P-C4' energy: -17.827 flat angles C4'-P-C4' energy: -16.270 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -15.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -161.785895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.785895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.785895 (E_RNA) where: Base-Base interactions energy: -101.435 where: short stacking energy: -50.036 Base-Backbone interact. energy: -0.201 local terms energy: -60.149090 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -14.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -145.891725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.891725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.891725 (E_RNA) where: Base-Base interactions energy: -91.644 where: short stacking energy: -36.149 Base-Backbone interact. energy: 1.223 local terms energy: -55.470593 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -2.986 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: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -148.714908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.714908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.714908 (E_RNA) where: Base-Base interactions energy: -90.728 where: short stacking energy: -50.008 Base-Backbone interact. energy: 1.491 local terms energy: -59.478460 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -10.111 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -13.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -76.553523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.553523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.553523 (E_RNA) where: Base-Base interactions energy: -34.305 where: short stacking energy: -19.777 Base-Backbone interact. energy: -0.666 local terms energy: -41.583380 where: bonds (distance) C4'-P energy: -10.675 bonds (distance) P-C4' energy: -15.074 flat angles C4'-P-C4' energy: -8.971 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: 1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -135.850465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.850465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.850465 (E_RNA) where: Base-Base interactions energy: -83.887 where: short stacking energy: -42.764 Base-Backbone interact. energy: 0.302 local terms energy: -52.265618 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -10.323 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: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -89.528881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.528881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.528881 (E_RNA) where: Base-Base interactions energy: -38.573 where: short stacking energy: -34.839 Base-Backbone interact. energy: -0.092 local terms energy: -50.863948 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -220.506175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.506175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.506175 (E_RNA) where: Base-Base interactions energy: -143.819 where: short stacking energy: -70.587 Base-Backbone interact. energy: -0.148 local terms energy: -76.539674 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -15.510 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -13.938 tors. eta vs tors. theta energy: -20.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -188.821395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.821395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.821395 (E_RNA) where: Base-Base interactions energy: -109.350 where: short stacking energy: -67.701 Base-Backbone interact. energy: 0.089 local terms energy: -79.560096 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -16.675 flat angles P-C4'-P energy: -13.327 tors. eta vs tors. theta energy: -19.830 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: 169 Temperature: 1.000000 Total energy: -189.275685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.275685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.275685 (E_RNA) where: Base-Base interactions energy: -114.335 where: short stacking energy: -64.064 Base-Backbone interact. energy: -0.005 local terms energy: -74.935865 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -11.904 tors. eta vs tors. theta energy: -16.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -167.688780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.688780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.688780 (E_RNA) where: Base-Base interactions energy: -98.130 where: short stacking energy: -58.295 Base-Backbone interact. energy: -0.191 local terms energy: -69.368172 where: bonds (distance) C4'-P energy: -15.979 bonds (distance) P-C4' energy: -16.390 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -13.220 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: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -164.027617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.027617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.027617 (E_RNA) where: Base-Base interactions energy: -100.508 where: short stacking energy: -59.511 Base-Backbone interact. energy: -0.130 local terms energy: -63.389239 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -12.881 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: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -156.472486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.472486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.472486 (E_RNA) where: Base-Base interactions energy: -94.992 where: short stacking energy: -55.230 Base-Backbone interact. energy: 0.076 local terms energy: -61.555873 where: bonds (distance) C4'-P energy: -4.012 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -16.613 flat angles P-C4'-P energy: -14.493 tors. eta vs tors. theta energy: -10.730 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: 169 Temperature: 1.200000 Total energy: -160.010837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.010837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.010837 (E_RNA) where: Base-Base interactions energy: -93.610 where: short stacking energy: -52.378 Base-Backbone interact. energy: -0.656 local terms energy: -65.745128 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -15.329 flat angles C4'-P-C4' energy: -15.075 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -155.466001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.466001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.466001 (E_RNA) where: Base-Base interactions energy: -92.758 where: short stacking energy: -51.909 Base-Backbone interact. energy: -0.008 local terms energy: -62.700387 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -10.829 tors. eta vs tors. theta energy: -12.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -71.266772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.266772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.266772 (E_RNA) where: Base-Base interactions energy: -34.929 where: short stacking energy: -22.960 Base-Backbone interact. energy: -0.155 local terms energy: -36.183240 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -0.352 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: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -79.003028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.003028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.003028 (E_RNA) where: Base-Base interactions energy: -34.990 where: short stacking energy: -29.157 Base-Backbone interact. energy: -1.290 local terms energy: -42.723340 where: bonds (distance) C4'-P energy: -12.944 bonds (distance) P-C4' energy: -10.748 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -216.468223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.468223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.468223 (E_RNA) where: Base-Base interactions energy: -140.313 where: short stacking energy: -70.987 Base-Backbone interact. energy: 1.771 local terms energy: -77.925575 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -17.453 flat angles P-C4'-P energy: -13.638 tors. eta vs tors. theta energy: -18.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -186.851787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.851787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.851787 (E_RNA) where: Base-Base interactions energy: -107.869 where: short stacking energy: -66.705 Base-Backbone interact. energy: -0.000 local terms energy: -78.982558 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -18.190 flat angles C4'-P-C4' energy: -16.408 flat angles P-C4'-P energy: -14.252 tors. eta vs tors. theta energy: -14.333 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: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -182.379172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.379172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.379172 (E_RNA) where: Base-Base interactions energy: -108.864 where: short stacking energy: -64.007 Base-Backbone interact. energy: -0.158 local terms energy: -73.356532 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -17.735 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -19.277 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: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -173.942144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.942144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.942144 (E_RNA) where: Base-Base interactions energy: -103.830 where: short stacking energy: -60.401 Base-Backbone interact. energy: -0.143 local terms energy: -69.968881 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -13.223 tors. eta vs tors. theta energy: -14.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -153.607636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.607636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.607636 (E_RNA) where: Base-Base interactions energy: -94.467 where: short stacking energy: -51.962 Base-Backbone interact. energy: -0.136 local terms energy: -59.003790 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -11.819 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -12.300 tors. eta vs tors. theta energy: -8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -157.706964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.706964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.706964 (E_RNA) where: Base-Base interactions energy: -92.005 where: short stacking energy: -52.129 Base-Backbone interact. energy: -0.078 local terms energy: -65.623226 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -18.106 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -11.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -148.037322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.037322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.037322 (E_RNA) where: Base-Base interactions energy: -95.532 where: short stacking energy: -55.788 Base-Backbone interact. energy: -0.008 local terms energy: -52.497405 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -10.742 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -14.541 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: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -142.793093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.793093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.793093 (E_RNA) where: Base-Base interactions energy: -78.963 where: short stacking energy: -34.289 Base-Backbone interact. energy: -0.240 local terms energy: -63.590077 where: bonds (distance) C4'-P energy: -16.474 bonds (distance) P-C4' energy: -15.377 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -86.580983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.580983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.580983 (E_RNA) where: Base-Base interactions energy: -31.039 where: short stacking energy: -31.039 Base-Backbone interact. energy: -0.157 local terms energy: -55.384884 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -5.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -74.297947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.297947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.297947 (E_RNA) where: Base-Base interactions energy: -26.177 where: short stacking energy: -26.177 Base-Backbone interact. energy: -0.241 local terms energy: -47.879819 where: bonds (distance) C4'-P energy: -15.904 bonds (distance) P-C4' energy: -9.182 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -2.756 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: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -227.296986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.296986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.296986 (E_RNA) where: Base-Base interactions energy: -147.999 where: short stacking energy: -75.448 Base-Backbone interact. energy: -0.617 local terms energy: -78.681127 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -17.684 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -12.850 tors. eta vs tors. theta energy: -20.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -194.657200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.657200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.657200 (E_RNA) where: Base-Base interactions energy: -118.464 where: short stacking energy: -73.111 Base-Backbone interact. energy: -0.286 local terms energy: -75.907647 where: bonds (distance) C4'-P energy: -14.172 bonds (distance) P-C4' energy: -16.471 flat angles C4'-P-C4' energy: -16.135 flat angles P-C4'-P energy: -11.432 tors. eta vs tors. theta energy: -17.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -185.299681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.299681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.299681 (E_RNA) where: Base-Base interactions energy: -112.732 where: short stacking energy: -61.466 Base-Backbone interact. energy: -0.547 local terms energy: -72.020172 where: bonds (distance) C4'-P energy: -16.674 bonds (distance) P-C4' energy: -12.695 flat angles C4'-P-C4' energy: -16.186 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -17.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -166.267804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.267804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.267804 (E_RNA) where: Base-Base interactions energy: -106.266 where: short stacking energy: -62.404 Base-Backbone interact. energy: -0.075 local terms energy: -59.926864 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -13.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -161.040781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.040781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.040781 (E_RNA) where: Base-Base interactions energy: -93.763 where: short stacking energy: -53.020 Base-Backbone interact. energy: -0.373 local terms energy: -66.904813 where: bonds (distance) C4'-P energy: -15.886 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -13.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -165.117467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.117467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.117467 (E_RNA) where: Base-Base interactions energy: -106.543 where: short stacking energy: -58.113 Base-Backbone interact. energy: -0.011 local terms energy: -58.563137 where: bonds (distance) C4'-P energy: -8.617 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -12.495 tors. eta vs tors. theta energy: -11.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -142.242139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.242139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.242139 (E_RNA) where: Base-Base interactions energy: -86.321 where: short stacking energy: -46.087 Base-Backbone interact. energy: 1.278 local terms energy: -57.199114 where: bonds (distance) C4'-P energy: -16.273 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -146.922592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.922592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.922592 (E_RNA) where: Base-Base interactions energy: -94.152 where: short stacking energy: -46.835 Base-Backbone interact. energy: 0.055 local terms energy: -52.825596 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -11.172 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: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -83.471634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.471634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.471634 (E_RNA) where: Base-Base interactions energy: -36.660 where: short stacking energy: -17.725 Base-Backbone interact. energy: -0.559 local terms energy: -46.252201 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -16.202 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -78.331288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.331288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.331288 (E_RNA) where: Base-Base interactions energy: -37.310 where: short stacking energy: -32.254 Base-Backbone interact. energy: -0.292 local terms energy: -40.729269 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -8.897 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -226.712373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.712373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.712373 (E_RNA) where: Base-Base interactions energy: -147.632 where: short stacking energy: -71.110 Base-Backbone interact. energy: -0.589 local terms energy: -78.492023 where: bonds (distance) C4'-P energy: -15.622 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -13.431 tors. eta vs tors. theta energy: -18.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -184.782987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.782987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.782987 (E_RNA) where: Base-Base interactions energy: -112.983 where: short stacking energy: -63.896 Base-Backbone interact. energy: -0.032 local terms energy: -71.768381 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -18.448 flat angles P-C4'-P energy: -11.738 tors. eta vs tors. theta energy: -11.512 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: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -172.888016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.888016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.888016 (E_RNA) where: Base-Base interactions energy: -102.279 where: short stacking energy: -57.226 Base-Backbone interact. energy: -0.042 local terms energy: -70.566944 where: bonds (distance) C4'-P energy: -14.406 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -12.809 tors. eta vs tors. theta energy: -14.756 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: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -152.783579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.783579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.783579 (E_RNA) where: Base-Base interactions energy: -89.896 where: short stacking energy: -43.363 Base-Backbone interact. energy: -0.307 local terms energy: -62.579776 where: bonds (distance) C4'-P energy: -14.754 bonds (distance) P-C4' energy: -17.456 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -160.905857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.905857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.905857 (E_RNA) where: Base-Base interactions energy: -92.067 where: short stacking energy: -44.382 Base-Backbone interact. energy: 0.725 local terms energy: -69.564442 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -18.246 flat angles C4'-P-C4' energy: -14.706 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -9.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -161.352825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.352825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.352825 (E_RNA) where: Base-Base interactions energy: -101.984 where: short stacking energy: -48.612 Base-Backbone interact. energy: 0.094 local terms energy: -59.463388 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -10.266 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -11.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -151.856318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.856318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.856318 (E_RNA) where: Base-Base interactions energy: -92.420 where: short stacking energy: -39.370 Base-Backbone interact. energy: -0.375 local terms energy: -59.061902 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -14.232 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -8.776 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: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -155.933260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.933260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.933260 (E_RNA) where: Base-Base interactions energy: -87.478 where: short stacking energy: -46.196 Base-Backbone interact. energy: -0.006 local terms energy: -68.448472 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -15.904 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -84.915154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.915154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.915154 (E_RNA) where: Base-Base interactions energy: -37.540 where: short stacking energy: -29.144 Base-Backbone interact. energy: -0.109 local terms energy: -47.265934 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -16.598 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -74.987586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.987586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.987586 (E_RNA) where: Base-Base interactions energy: -33.937 where: short stacking energy: -27.280 Base-Backbone interact. energy: -0.386 local terms energy: -40.664667 where: bonds (distance) C4'-P energy: -9.165 bonds (distance) P-C4' energy: -11.513 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -228.361128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.361128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.361128 (E_RNA) where: Base-Base interactions energy: -150.320 where: short stacking energy: -75.931 Base-Backbone interact. energy: -0.369 local terms energy: -77.671739 where: bonds (distance) C4'-P energy: -16.795 bonds (distance) P-C4' energy: -13.971 flat angles C4'-P-C4' energy: -16.758 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -19.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -187.870647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.870647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.870647 (E_RNA) where: Base-Base interactions energy: -119.525 where: short stacking energy: -56.988 Base-Backbone interact. energy: -0.377 local terms energy: -67.968720 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -16.164 flat angles P-C4'-P energy: -12.576 tors. eta vs tors. theta energy: -10.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -173.772161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.772161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.772161 (E_RNA) where: Base-Base interactions energy: -104.144 where: short stacking energy: -52.423 Base-Backbone interact. energy: -0.214 local terms energy: -69.413593 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -15.420 flat angles P-C4'-P energy: -11.569 tors. eta vs tors. theta energy: -12.315 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: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -169.273144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.273144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.273144 (E_RNA) where: Base-Base interactions energy: -108.379 where: short stacking energy: -63.371 Base-Backbone interact. energy: 0.169 local terms energy: -61.062656 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -15.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -176.331543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.331543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.331543 (E_RNA) where: Base-Base interactions energy: -122.931 where: short stacking energy: -49.064 Base-Backbone interact. energy: 0.801 local terms energy: -54.201646 where: bonds (distance) C4'-P energy: -10.369 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -16.398 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -4.806 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: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -159.054590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.054590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.054590 (E_RNA) where: Base-Base interactions energy: -100.035 where: short stacking energy: -55.920 Base-Backbone interact. energy: -0.049 local terms energy: -58.970319 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -14.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -152.263386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.263386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.263386 (E_RNA) where: Base-Base interactions energy: -97.381 where: short stacking energy: -43.419 Base-Backbone interact. energy: -0.286 local terms energy: -54.596437 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -8.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -146.465194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.465194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.465194 (E_RNA) where: Base-Base interactions energy: -92.351 where: short stacking energy: -45.437 Base-Backbone interact. energy: 0.786 local terms energy: -54.900403 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -11.135 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -81.121152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.121152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.121152 (E_RNA) where: Base-Base interactions energy: -28.237 where: short stacking energy: -28.237 Base-Backbone interact. energy: -0.248 local terms energy: -52.636707 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -3.640 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: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -88.150161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.150161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.150161 (E_RNA) where: Base-Base interactions energy: -31.105 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.048 local terms energy: -56.997439 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -227.979623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.979623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.979623 (E_RNA) where: Base-Base interactions energy: -146.938 where: short stacking energy: -71.542 Base-Backbone interact. energy: -0.280 local terms energy: -80.761676 where: bonds (distance) C4'-P energy: -15.892 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -17.526 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -19.984 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: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -196.535030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.535030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.535030 (E_RNA) where: Base-Base interactions energy: -123.286 where: short stacking energy: -70.980 Base-Backbone interact. energy: -0.019 local terms energy: -73.230360 where: bonds (distance) C4'-P energy: -12.534 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -18.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -172.258227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.258227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.258227 (E_RNA) where: Base-Base interactions energy: -107.062 where: short stacking energy: -57.980 Base-Backbone interact. energy: -0.145 local terms energy: -65.051427 where: bonds (distance) C4'-P energy: -16.553 bonds (distance) P-C4' energy: -9.504 flat angles C4'-P-C4' energy: -17.444 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -10.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -163.187479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.187479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.187479 (E_RNA) where: Base-Base interactions energy: -108.456 where: short stacking energy: -49.545 Base-Backbone interact. energy: -0.073 local terms energy: -54.658672 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -11.011 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: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -176.884927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.884927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.884927 (E_RNA) where: Base-Base interactions energy: -113.586 where: short stacking energy: -41.857 Base-Backbone interact. energy: -0.161 local terms energy: -63.137310 where: bonds (distance) C4'-P energy: -15.999 bonds (distance) P-C4' energy: -15.957 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -163.123949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.123949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.123949 (E_RNA) where: Base-Base interactions energy: -99.940 where: short stacking energy: -58.619 Base-Backbone interact. energy: 0.566 local terms energy: -63.749393 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -14.720 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -13.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -149.004223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.004223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.004223 (E_RNA) where: Base-Base interactions energy: -84.949 where: short stacking energy: -42.375 Base-Backbone interact. energy: -0.175 local terms energy: -63.879884 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -16.049 flat angles C4'-P-C4' energy: -10.811 flat angles P-C4'-P energy: -12.053 tors. eta vs tors. theta energy: -11.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -143.906142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.906142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.906142 (E_RNA) where: Base-Base interactions energy: -84.259 where: short stacking energy: -45.345 Base-Backbone interact. energy: -0.494 local terms energy: -59.153420 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -11.194 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: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -83.298161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.298161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.298161 (E_RNA) where: Base-Base interactions energy: -39.050 where: short stacking energy: -32.384 Base-Backbone interact. energy: 0.520 local terms energy: -44.768038 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -77.238700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.238700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.238700 (E_RNA) where: Base-Base interactions energy: -29.963 where: short stacking energy: -13.972 Base-Backbone interact. energy: -0.722 local terms energy: -46.554341 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: 4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -222.375287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.375287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.375287 (E_RNA) where: Base-Base interactions energy: -146.339 where: short stacking energy: -72.238 Base-Backbone interact. energy: -0.607 local terms energy: -75.429164 where: bonds (distance) C4'-P energy: -15.341 bonds (distance) P-C4' energy: -16.533 flat angles C4'-P-C4' energy: -12.091 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -21.113 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: 175 Temperature: 0.950000 Total energy: -183.547468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.547468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.547468 (E_RNA) where: Base-Base interactions energy: -110.138 where: short stacking energy: -68.821 Base-Backbone interact. energy: -0.015 local terms energy: -73.394800 where: bonds (distance) C4'-P energy: -16.536 bonds (distance) P-C4' energy: -16.988 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -19.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -161.216297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.216297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.216297 (E_RNA) where: Base-Base interactions energy: -99.578 where: short stacking energy: -52.664 Base-Backbone interact. energy: -0.133 local terms energy: -61.505459 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -17.215 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -7.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -172.972812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.972812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.972812 (E_RNA) where: Base-Base interactions energy: -105.420 where: short stacking energy: -58.362 Base-Backbone interact. energy: -0.029 local terms energy: -67.524278 where: bonds (distance) C4'-P energy: -14.844 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -12.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -161.384256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.384256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.384256 (E_RNA) where: Base-Base interactions energy: -93.932 where: short stacking energy: -56.680 Base-Backbone interact. energy: -0.175 local terms energy: -67.276698 where: bonds (distance) C4'-P energy: -10.628 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -13.546 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -157.033770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.033770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.033770 (E_RNA) where: Base-Base interactions energy: -90.590 where: short stacking energy: -52.783 Base-Backbone interact. energy: -0.122 local terms energy: -66.322299 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -14.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -163.194818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.194818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.194818 (E_RNA) where: Base-Base interactions energy: -100.492 where: short stacking energy: -61.985 Base-Backbone interact. energy: -0.119 local terms energy: -62.583194 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.146 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -14.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -85.739797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.739797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.739797 (E_RNA) where: Base-Base interactions energy: -39.919 where: short stacking energy: -38.428 Base-Backbone interact. energy: -0.066 local terms energy: -45.754615 where: bonds (distance) C4'-P energy: -9.956 bonds (distance) P-C4' energy: -10.752 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -150.310493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.310493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.310493 (E_RNA) where: Base-Base interactions energy: -85.311 where: short stacking energy: -47.955 Base-Backbone interact. energy: -0.020 local terms energy: -64.980053 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -17.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -80.531965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.531965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.531965 (E_RNA) where: Base-Base interactions energy: -31.932 where: short stacking energy: -31.932 Base-Backbone interact. energy: -0.096 local terms energy: -48.503999 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -16.780 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -0.328 tors. eta vs tors. theta energy: -9.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -224.745898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.745898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.745898 (E_RNA) where: Base-Base interactions energy: -149.221 where: short stacking energy: -70.562 Base-Backbone interact. energy: -0.681 local terms energy: -74.844006 where: bonds (distance) C4'-P energy: -9.992 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -16.682 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -20.744 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: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -190.418621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.418621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.418621 (E_RNA) where: Base-Base interactions energy: -113.496 where: short stacking energy: -65.071 Base-Backbone interact. energy: -0.011 local terms energy: -76.911202 where: bonds (distance) C4'-P energy: -15.497 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -16.830 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -20.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -177.125387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.125387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.125387 (E_RNA) where: Base-Base interactions energy: -109.165 where: short stacking energy: -68.874 Base-Backbone interact. energy: -0.025 local terms energy: -67.935619 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -19.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -175.900976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.900976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.900976 (E_RNA) where: Base-Base interactions energy: -103.077 where: short stacking energy: -62.544 Base-Backbone interact. energy: -0.422 local terms energy: -72.401784 where: bonds (distance) C4'-P energy: -16.254 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -15.784 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -15.133 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: 5, replica: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -166.660094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.660094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.660094 (E_RNA) where: Base-Base interactions energy: -104.268 where: short stacking energy: -50.619 Base-Backbone interact. energy: -0.175 local terms energy: -62.216181 where: bonds (distance) C4'-P energy: -18.023 bonds (distance) P-C4' energy: -9.930 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -11.225 tors. eta vs tors. theta energy: -11.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -162.874420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.874420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.874420 (E_RNA) where: Base-Base interactions energy: -97.834 where: short stacking energy: -56.178 Base-Backbone interact. energy: -0.156 local terms energy: -64.884620 where: bonds (distance) C4'-P energy: -15.328 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -11.426 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: 176 Temperature: 1.200000 Total energy: -149.810067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.810067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.810067 (E_RNA) where: Base-Base interactions energy: -86.035 where: short stacking energy: -40.285 Base-Backbone interact. energy: -0.049 local terms energy: -63.726052 where: bonds (distance) C4'-P energy: -15.787 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -6.710 tors. eta vs tors. theta energy: -12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -92.806033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.806033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.806033 (E_RNA) where: Base-Base interactions energy: -42.289 where: short stacking energy: -25.032 Base-Backbone interact. energy: -0.471 local terms energy: -50.045744 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -102.460446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.460446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.460446 (E_RNA) where: Base-Base interactions energy: -57.913 where: short stacking energy: -30.623 Base-Backbone interact. energy: -0.655 local terms energy: -43.893180 where: bonds (distance) C4'-P energy: -16.177 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: 0.211 tors. eta vs tors. theta energy: 0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -131.119771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.119771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.119771 (E_RNA) where: Base-Base interactions energy: -82.990 where: short stacking energy: -32.166 Base-Backbone interact. energy: -0.185 local terms energy: -47.944740 where: bonds (distance) C4'-P energy: -15.266 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -226.769970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.769970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.769970 (E_RNA) where: Base-Base interactions energy: -147.598 where: short stacking energy: -71.486 Base-Backbone interact. energy: -0.425 local terms energy: -78.747482 where: bonds (distance) C4'-P energy: -17.245 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -12.353 tors. eta vs tors. theta energy: -19.480 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: 177 Temperature: 0.950000 Total energy: -175.876250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.876250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.876250 (E_RNA) where: Base-Base interactions energy: -107.618 where: short stacking energy: -62.074 Base-Backbone interact. energy: -0.010 local terms energy: -68.247761 where: bonds (distance) C4'-P energy: -16.500 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -15.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -183.127039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.127039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.127039 (E_RNA) where: Base-Base interactions energy: -106.410 where: short stacking energy: -61.774 Base-Backbone interact. energy: -0.036 local terms energy: -76.680322 where: bonds (distance) C4'-P energy: -15.025 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -19.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -159.819534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.819534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.819534 (E_RNA) where: Base-Base interactions energy: -97.577 where: short stacking energy: -59.145 Base-Backbone interact. energy: -0.082 local terms energy: -62.160111 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -17.448 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -12.700 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: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -173.535131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.535131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.535131 (E_RNA) where: Base-Base interactions energy: -106.267 where: short stacking energy: -62.638 Base-Backbone interact. energy: -0.120 local terms energy: -67.148863 where: bonds (distance) C4'-P energy: -14.657 bonds (distance) P-C4' energy: -10.080 flat angles C4'-P-C4' energy: -17.951 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -17.506 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: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -153.786358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.786358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.786358 (E_RNA) where: Base-Base interactions energy: -96.976 where: short stacking energy: -62.083 Base-Backbone interact. energy: -0.024 local terms energy: -56.786426 where: bonds (distance) C4'-P energy: -8.101 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -16.956 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -14.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -165.090477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.090477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.090477 (E_RNA) where: Base-Base interactions energy: -107.912 where: short stacking energy: -52.152 Base-Backbone interact. energy: 1.914 local terms energy: -59.092439 where: bonds (distance) C4'-P energy: -15.291 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -13.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -88.430949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.430949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.430949 (E_RNA) where: Base-Base interactions energy: -37.905 where: short stacking energy: -37.239 Base-Backbone interact. energy: -0.352 local terms energy: -50.173490 where: bonds (distance) C4'-P energy: -16.413 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -82.007006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.007006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.007006 (E_RNA) where: Base-Base interactions energy: -32.992 where: short stacking energy: -28.465 Base-Backbone interact. energy: -0.360 local terms energy: -48.655121 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -15.226 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -126.842473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.842473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.842473 (E_RNA) where: Base-Base interactions energy: -76.791 where: short stacking energy: -26.109 Base-Backbone interact. energy: -0.586 local terms energy: -49.465148 where: bonds (distance) C4'-P energy: -16.288 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: 2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -224.707259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.707259 (E_RNA) where: Base-Base interactions energy: -148.041 where: short stacking energy: -74.565 Base-Backbone interact. energy: -0.409 local terms energy: -76.256959 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -16.932 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -20.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -179.289025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.289025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.289025 (E_RNA) where: Base-Base interactions energy: -110.559 where: short stacking energy: -63.603 Base-Backbone interact. energy: -0.076 local terms energy: -68.653686 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -16.758 flat angles C4'-P-C4' energy: -17.271 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -18.953 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: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -152.963202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.963202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.963202 (E_RNA) where: Base-Base interactions energy: -88.447 where: short stacking energy: -49.704 Base-Backbone interact. energy: -0.021 local terms energy: -64.496024 where: bonds (distance) C4'-P energy: -15.667 bonds (distance) P-C4' energy: -14.767 flat angles C4'-P-C4' energy: -17.307 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -8.568 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: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -166.253645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.253645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.253645 (E_RNA) where: Base-Base interactions energy: -101.982 where: short stacking energy: -62.407 Base-Backbone interact. energy: -0.020 local terms energy: -64.252073 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -11.657 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -17.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -153.954035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.954035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.954035 (E_RNA) where: Base-Base interactions energy: -99.978 where: short stacking energy: -49.155 Base-Backbone interact. energy: -0.146 local terms energy: -53.830062 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -18.125 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: 0.010 tors. eta vs tors. theta energy: -9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -148.315428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.315428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.315428 (E_RNA) where: Base-Base interactions energy: -92.748 where: short stacking energy: -42.343 Base-Backbone interact. energy: -0.193 local terms energy: -55.374926 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -9.092 flat angles P-C4'-P energy: -11.306 tors. eta vs tors. theta energy: -5.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -159.433060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.433060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.433060 (E_RNA) where: Base-Base interactions energy: -92.093 where: short stacking energy: -54.701 Base-Backbone interact. energy: -0.172 local terms energy: -67.168079 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -17.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -89.303577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.303577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.303577 (E_RNA) where: Base-Base interactions energy: -34.189 where: short stacking energy: -30.891 Base-Backbone interact. energy: -0.171 local terms energy: -54.944211 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -10.930 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -142.687706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.687706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.687706 (E_RNA) where: Base-Base interactions energy: -82.686 where: short stacking energy: -45.885 Base-Backbone interact. energy: -0.043 local terms energy: -59.959063 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -8.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -94.078476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.078476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.078476 (E_RNA) where: Base-Base interactions energy: -42.282 where: short stacking energy: -34.494 Base-Backbone interact. energy: 1.478 local terms energy: -53.274261 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -6.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -230.111524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.111524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.111524 (E_RNA) where: Base-Base interactions energy: -150.808 where: short stacking energy: -70.905 Base-Backbone interact. energy: -0.707 local terms energy: -78.596191 where: bonds (distance) C4'-P energy: -15.966 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -13.568 tors. eta vs tors. theta energy: -19.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -169.769292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.769292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.769292 (E_RNA) where: Base-Base interactions energy: -106.219 where: short stacking energy: -63.757 Base-Backbone interact. energy: 0.617 local terms energy: -64.167222 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -9.694 flat angles P-C4'-P energy: -12.623 tors. eta vs tors. theta energy: -11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -170.626193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.626193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.626193 (E_RNA) where: Base-Base interactions energy: -105.134 where: short stacking energy: -53.353 Base-Backbone interact. energy: -0.015 local terms energy: -65.477105 where: bonds (distance) C4'-P energy: -16.314 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -176.215374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.215374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.215374 (E_RNA) where: Base-Base interactions energy: -109.140 where: short stacking energy: -45.581 Base-Backbone interact. energy: -0.114 local terms energy: -66.961440 where: bonds (distance) C4'-P energy: -15.336 bonds (distance) P-C4' energy: -13.746 flat angles C4'-P-C4' energy: -15.852 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -10.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -172.572992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.572992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.572992 (E_RNA) where: Base-Base interactions energy: -108.639 where: short stacking energy: -51.663 Base-Backbone interact. energy: -0.482 local terms energy: -63.452326 where: bonds (distance) C4'-P energy: -17.319 bonds (distance) P-C4' energy: -8.301 flat angles C4'-P-C4' energy: -15.803 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -15.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -152.376248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.376248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.376248 (E_RNA) where: Base-Base interactions energy: -91.364 where: short stacking energy: -50.135 Base-Backbone interact. energy: -0.096 local terms energy: -60.916608 where: bonds (distance) C4'-P energy: -10.699 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -10.927 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: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -148.820578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.820578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.820578 (E_RNA) where: Base-Base interactions energy: -95.021 where: short stacking energy: -48.639 Base-Backbone interact. energy: -0.093 local terms energy: -53.705939 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -8.239 tors. eta vs tors. theta energy: -6.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -164.454976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.454976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.454976 (E_RNA) where: Base-Base interactions energy: -98.006 where: short stacking energy: -58.548 Base-Backbone interact. energy: -0.030 local terms energy: -66.419621 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -14.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -83.258810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.258810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.258810 (E_RNA) where: Base-Base interactions energy: -28.259 where: short stacking energy: -27.563 Base-Backbone interact. energy: -0.025 local terms energy: -54.974908 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -15.475 flat angles C4'-P-C4' energy: -14.605 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -82.954971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.954971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.954971 (E_RNA) where: Base-Base interactions energy: -30.154 where: short stacking energy: -30.154 Base-Backbone interact. energy: -0.061 local terms energy: -52.739982 where: bonds (distance) C4'-P energy: -15.476 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -228.251165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.251165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.251165 (E_RNA) where: Base-Base interactions energy: -152.224 where: short stacking energy: -71.818 Base-Backbone interact. energy: -0.462 local terms energy: -75.565039 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -17.716 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -17.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -182.428867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.428867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.428867 (E_RNA) where: Base-Base interactions energy: -114.131 where: short stacking energy: -63.643 Base-Backbone interact. energy: -0.023 local terms energy: -68.274150 where: bonds (distance) C4'-P energy: -6.858 bonds (distance) P-C4' energy: -16.002 flat angles C4'-P-C4' energy: -16.325 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -182.333835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.333835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.333835 (E_RNA) where: Base-Base interactions energy: -105.033 where: short stacking energy: -64.308 Base-Backbone interact. energy: -0.794 local terms energy: -76.506807 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -12.722 tors. eta vs tors. theta energy: -20.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -165.179647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.179647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.179647 (E_RNA) where: Base-Base interactions energy: -105.772 where: short stacking energy: -46.444 Base-Backbone interact. energy: -0.228 local terms energy: -59.179090 where: bonds (distance) C4'-P energy: -15.323 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -165.452105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.452105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.452105 (E_RNA) where: Base-Base interactions energy: -101.792 where: short stacking energy: -47.604 Base-Backbone interact. energy: -0.285 local terms energy: -63.375208 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -16.860 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -8.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -163.607683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.607683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.607683 (E_RNA) where: Base-Base interactions energy: -97.445 where: short stacking energy: -54.746 Base-Backbone interact. energy: -0.054 local terms energy: -66.107863 where: bonds (distance) C4'-P energy: -16.728 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -15.527 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -153.104068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.104068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.104068 (E_RNA) where: Base-Base interactions energy: -102.684 where: short stacking energy: -49.380 Base-Backbone interact. energy: 0.517 local terms energy: -50.936561 where: bonds (distance) C4'-P energy: -10.103 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -11.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -143.292711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.292711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.292711 (E_RNA) where: Base-Base interactions energy: -82.103 where: short stacking energy: -36.241 Base-Backbone interact. energy: -0.531 local terms energy: -60.658675 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -7.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -92.737226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.737226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.737226 (E_RNA) where: Base-Base interactions energy: -34.409 where: short stacking energy: -26.977 Base-Backbone interact. energy: -0.621 local terms energy: -57.707412 where: bonds (distance) C4'-P energy: -7.089 bonds (distance) P-C4' energy: -14.939 flat angles C4'-P-C4' energy: -16.895 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -76.806310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.806310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.806310 (E_RNA) where: Base-Base interactions energy: -30.021 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.293 local terms energy: -46.492410 where: bonds (distance) C4'-P energy: -14.223 bonds (distance) P-C4' energy: -13.223 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -6.911 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -226.742494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.742494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.742494 (E_RNA) where: Base-Base interactions energy: -143.551 where: short stacking energy: -66.762 Base-Backbone interact. energy: -0.147 local terms energy: -83.044391 where: bonds (distance) C4'-P energy: -17.808 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -16.731 flat angles P-C4'-P energy: -12.612 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -178.170657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.170657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.170657 (E_RNA) where: Base-Base interactions energy: -110.007 where: short stacking energy: -64.213 Base-Backbone interact. energy: -0.019 local terms energy: -68.145250 where: bonds (distance) C4'-P energy: -11.366 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -17.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -184.106719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.106719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.106719 (E_RNA) where: Base-Base interactions energy: -118.976 where: short stacking energy: -70.697 Base-Backbone interact. energy: -0.013 local terms energy: -65.118533 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -8.656 tors. eta vs tors. theta energy: -15.781 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: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -169.631417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.631417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.631417 (E_RNA) where: Base-Base interactions energy: -101.913 where: short stacking energy: -53.847 Base-Backbone interact. energy: 2.000 local terms energy: -69.718442 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -13.746 tors. eta vs tors. theta energy: -12.192 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: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -164.565545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.565545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.565545 (E_RNA) where: Base-Base interactions energy: -107.295 where: short stacking energy: -41.916 Base-Backbone interact. energy: 0.334 local terms energy: -57.604747 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -159.850453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.850453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.850453 (E_RNA) where: Base-Base interactions energy: -99.566 where: short stacking energy: -55.420 Base-Backbone interact. energy: -0.131 local terms energy: -60.152841 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -11.526 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -13.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -153.417130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.417130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.417130 (E_RNA) where: Base-Base interactions energy: -96.304 where: short stacking energy: -54.021 Base-Backbone interact. energy: -0.003 local terms energy: -57.110163 where: bonds (distance) C4'-P energy: -9.680 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -14.302 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -12.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -147.379589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.379589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.379589 (E_RNA) where: Base-Base interactions energy: -85.101 where: short stacking energy: -44.704 Base-Backbone interact. energy: -0.285 local terms energy: -61.993420 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -8.429 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: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -85.046288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.046288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.046288 (E_RNA) where: Base-Base interactions energy: -31.656 where: short stacking energy: -29.983 Base-Backbone interact. energy: 0.156 local terms energy: -53.546843 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -12.588 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -80.765404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.765404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.765404 (E_RNA) where: Base-Base interactions energy: -34.307 where: short stacking energy: -31.267 Base-Backbone interact. energy: -0.082 local terms energy: -46.376303 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -10.031 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -217.087042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.087042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.087042 (E_RNA) where: Base-Base interactions energy: -143.076 where: short stacking energy: -58.874 Base-Backbone interact. energy: -0.923 local terms energy: -73.087913 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -15.443 flat angles C4'-P-C4' energy: -15.937 flat angles P-C4'-P energy: -13.685 tors. eta vs tors. theta energy: -15.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -180.894833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.894833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.894833 (E_RNA) where: Base-Base interactions energy: -107.671 where: short stacking energy: -63.012 Base-Backbone interact. energy: -0.174 local terms energy: -73.050292 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -17.908 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -15.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -169.858384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.858384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.858384 (E_RNA) where: Base-Base interactions energy: -103.056 where: short stacking energy: -47.639 Base-Backbone interact. energy: -0.546 local terms energy: -66.256193 where: bonds (distance) C4'-P energy: -15.539 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -8.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -188.794099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.794099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.794099 (E_RNA) where: Base-Base interactions energy: -109.276 where: short stacking energy: -64.042 Base-Backbone interact. energy: -0.056 local terms energy: -79.462179 where: bonds (distance) C4'-P energy: -15.444 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -12.716 tors. eta vs tors. theta energy: -17.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -175.677265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.677265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.677265 (E_RNA) where: Base-Base interactions energy: -117.931 where: short stacking energy: -48.262 Base-Backbone interact. energy: -0.082 local terms energy: -57.664484 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -7.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -156.295578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.295578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.295578 (E_RNA) where: Base-Base interactions energy: -98.884 where: short stacking energy: -53.849 Base-Backbone interact. energy: -0.073 local terms energy: -57.338747 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -8.942 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -11.649 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: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -157.068041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.068041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.068041 (E_RNA) where: Base-Base interactions energy: -97.399 where: short stacking energy: -42.493 Base-Backbone interact. energy: -0.017 local terms energy: -59.651577 where: bonds (distance) C4'-P energy: -15.523 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -8.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -141.649705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.649705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.649705 (E_RNA) where: Base-Base interactions energy: -88.808 where: short stacking energy: -39.969 Base-Backbone interact. energy: -0.083 local terms energy: -52.758384 where: bonds (distance) C4'-P energy: -7.955 bonds (distance) P-C4' energy: -15.201 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -87.151954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.151954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.151954 (E_RNA) where: Base-Base interactions energy: -40.200 where: short stacking energy: -39.256 Base-Backbone interact. energy: -0.012 local terms energy: -46.939322 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -8.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -91.584181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.584181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.584181 (E_RNA) where: Base-Base interactions energy: -50.347 where: short stacking energy: -21.741 Base-Backbone interact. energy: -0.324 local terms energy: -40.913649 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -10.297 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: 5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -213.764143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.764143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.764143 (E_RNA) where: Base-Base interactions energy: -138.353 where: short stacking energy: -61.248 Base-Backbone interact. energy: -0.288 local terms energy: -75.122865 where: bonds (distance) C4'-P energy: -14.165 bonds (distance) P-C4' energy: -16.775 flat angles C4'-P-C4' energy: -16.323 flat angles P-C4'-P energy: -11.839 tors. eta vs tors. theta energy: -16.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -178.923319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.923319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.923319 (E_RNA) where: Base-Base interactions energy: -108.646 where: short stacking energy: -55.159 Base-Backbone interact. energy: -0.035 local terms energy: -70.241711 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -16.369 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -11.160 tors. eta vs tors. theta energy: -15.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -188.754150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.754150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.754150 (E_RNA) where: Base-Base interactions energy: -116.569 where: short stacking energy: -73.036 Base-Backbone interact. energy: -0.078 local terms energy: -72.107488 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -17.211 flat angles P-C4'-P energy: -10.740 tors. eta vs tors. theta energy: -17.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -162.978532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.978532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.978532 (E_RNA) where: Base-Base interactions energy: -95.346 where: short stacking energy: -51.579 Base-Backbone interact. energy: -0.100 local terms energy: -67.532586 where: bonds (distance) C4'-P energy: -14.927 bonds (distance) P-C4' energy: -16.970 flat angles C4'-P-C4' energy: -16.311 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -12.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -174.607704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.607704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.607704 (E_RNA) where: Base-Base interactions energy: -99.349 where: short stacking energy: -58.586 Base-Backbone interact. energy: -0.198 local terms energy: -75.060579 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -18.204 flat angles P-C4'-P energy: -12.524 tors. eta vs tors. theta energy: -15.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -161.216603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.216603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.216603 (E_RNA) where: Base-Base interactions energy: -100.004 where: short stacking energy: -52.640 Base-Backbone interact. energy: 1.002 local terms energy: -62.215446 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -15.994 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -8.222 tors. eta vs tors. theta energy: -12.414 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: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -166.888100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.888100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.888100 (E_RNA) where: Base-Base interactions energy: -101.062 where: short stacking energy: -54.611 Base-Backbone interact. energy: -0.144 local terms energy: -65.682864 where: bonds (distance) C4'-P energy: -14.144 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -12.779 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -147.903632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.903632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.903632 (E_RNA) where: Base-Base interactions energy: -90.195 where: short stacking energy: -49.912 Base-Backbone interact. energy: 0.619 local terms energy: -58.328064 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -10.867 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -12.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -80.169628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.169628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.169628 (E_RNA) where: Base-Base interactions energy: -29.007 where: short stacking energy: -22.852 Base-Backbone interact. energy: -0.110 local terms energy: -51.053185 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -7.581 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: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -77.952514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.952514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.952514 (E_RNA) where: Base-Base interactions energy: -34.838 where: short stacking energy: -26.660 Base-Backbone interact. energy: -0.352 local terms energy: -42.761735 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -11.845 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -2.636 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: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -215.519657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.519657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.519657 (E_RNA) where: Base-Base interactions energy: -139.716 where: short stacking energy: -63.124 Base-Backbone interact. energy: 1.317 local terms energy: -77.120584 where: bonds (distance) C4'-P energy: -16.682 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -16.493 flat angles P-C4'-P energy: -12.048 tors. eta vs tors. theta energy: -14.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -191.653286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.653286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.653286 (E_RNA) where: Base-Base interactions energy: -120.994 where: short stacking energy: -62.392 Base-Backbone interact. energy: -0.098 local terms energy: -70.561739 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -17.755 flat angles P-C4'-P energy: -6.245 tors. eta vs tors. theta energy: -17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -173.349139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.349139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.349139 (E_RNA) where: Base-Base interactions energy: -110.226 where: short stacking energy: -51.610 Base-Backbone interact. energy: 0.448 local terms energy: -63.571564 where: bonds (distance) C4'-P energy: -15.783 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -9.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -179.034994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.034994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.034994 (E_RNA) where: Base-Base interactions energy: -105.528 where: short stacking energy: -57.448 Base-Backbone interact. energy: -0.008 local terms energy: -73.498681 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -15.521 flat angles P-C4'-P energy: -12.815 tors. eta vs tors. theta energy: -14.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -164.263270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.263270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.263270 (E_RNA) where: Base-Base interactions energy: -100.584 where: short stacking energy: -57.442 Base-Backbone interact. energy: -0.116 local terms energy: -63.563121 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -18.232 flat angles C4'-P-C4' energy: -15.373 flat angles P-C4'-P energy: -11.261 tors. eta vs tors. theta energy: -10.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -168.389299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.389299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.389299 (E_RNA) where: Base-Base interactions energy: -100.228 where: short stacking energy: -54.850 Base-Backbone interact. energy: -0.008 local terms energy: -68.153316 where: bonds (distance) C4'-P energy: -15.808 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -9.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -146.460368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.460368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.460368 (E_RNA) where: Base-Base interactions energy: -82.320 where: short stacking energy: -41.356 Base-Backbone interact. energy: -0.411 local terms energy: -63.730167 where: bonds (distance) C4'-P energy: -15.865 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -9.185 tors. eta vs tors. theta energy: -11.512 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: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -155.825614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.825614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.825614 (E_RNA) where: Base-Base interactions energy: -88.863 where: short stacking energy: -49.729 Base-Backbone interact. energy: -0.106 local terms energy: -66.856280 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: -15.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -115.053314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.053314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.053314 (E_RNA) where: Base-Base interactions energy: -65.224 where: short stacking energy: -27.084 Base-Backbone interact. energy: -0.708 local terms energy: -49.120700 where: bonds (distance) C4'-P energy: -9.913 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -82.769071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.769071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.769071 (E_RNA) where: Base-Base interactions energy: -34.857 where: short stacking energy: -26.203 Base-Backbone interact. energy: -0.291 local terms energy: -47.620477 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -11.449 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -212.166516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.166516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.166516 (E_RNA) where: Base-Base interactions energy: -136.748 where: short stacking energy: -63.986 Base-Backbone interact. energy: 1.184 local terms energy: -76.602727 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -18.715 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -16.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -173.703137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.703137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.703137 (E_RNA) where: Base-Base interactions energy: -102.866 where: short stacking energy: -59.418 Base-Backbone interact. energy: -0.166 local terms energy: -70.671236 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -16.844 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -12.129 tors. eta vs tors. theta energy: -11.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -177.404131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.404131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.404131 (E_RNA) where: Base-Base interactions energy: -111.126 where: short stacking energy: -64.095 Base-Backbone interact. energy: -0.013 local terms energy: -66.264988 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -16.687 flat angles C4'-P-C4' energy: -15.324 flat angles P-C4'-P energy: -10.497 tors. eta vs tors. theta energy: -14.150 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: 4, replica: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -166.748409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.748409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.748409 (E_RNA) where: Base-Base interactions energy: -103.543 where: short stacking energy: -60.947 Base-Backbone interact. energy: -0.031 local terms energy: -63.174622 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -15.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -173.677746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.677746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.677746 (E_RNA) where: Base-Base interactions energy: -109.267 where: short stacking energy: -60.946 Base-Backbone interact. energy: -0.485 local terms energy: -63.925460 where: bonds (distance) C4'-P energy: -10.637 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -14.364 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -13.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -164.301511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.301511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.301511 (E_RNA) where: Base-Base interactions energy: -102.020 where: short stacking energy: -54.428 Base-Backbone interact. energy: -0.084 local terms energy: -62.197757 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -17.309 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -9.738 tors. eta vs tors. theta energy: -15.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -153.048178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.048178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.048178 (E_RNA) where: Base-Base interactions energy: -88.757 where: short stacking energy: -51.425 Base-Backbone interact. energy: -0.006 local terms energy: -64.284206 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -11.928 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: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -158.438543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.438543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.438543 (E_RNA) where: Base-Base interactions energy: -100.788 where: short stacking energy: -50.506 Base-Backbone interact. energy: -0.506 local terms energy: -57.144709 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -10.355 flat angles C4'-P-C4' energy: -14.740 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -11.945 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: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -89.463249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.463249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.463249 (E_RNA) where: Base-Base interactions energy: -38.611 where: short stacking energy: -25.756 Base-Backbone interact. energy: -0.074 local terms energy: -50.778206 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -11.995 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -75.829903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.829903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.829903 (E_RNA) where: Base-Base interactions energy: -37.988 where: short stacking energy: -32.862 Base-Backbone interact. energy: -0.416 local terms energy: -37.426476 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -190.359046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.359046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.359046 (E_RNA) where: Base-Base interactions energy: -114.073 where: short stacking energy: -69.303 Base-Backbone interact. energy: -0.401 local terms energy: -75.885388 where: bonds (distance) C4'-P energy: -16.101 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -12.301 tors. eta vs tors. theta energy: -21.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -201.472481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.472481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.472481 (E_RNA) where: Base-Base interactions energy: -134.026 where: short stacking energy: -57.082 Base-Backbone interact. energy: 0.067 local terms energy: -67.512840 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -17.496 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -14.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -187.587497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.587497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.587497 (E_RNA) where: Base-Base interactions energy: -118.516 where: short stacking energy: -60.510 Base-Backbone interact. energy: -0.021 local terms energy: -69.051255 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -14.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -169.059566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.059566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.059566 (E_RNA) where: Base-Base interactions energy: -106.025 where: short stacking energy: -50.635 Base-Backbone interact. energy: -0.434 local terms energy: -62.601199 where: bonds (distance) C4'-P energy: -14.181 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -10.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -166.457581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.457581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.457581 (E_RNA) where: Base-Base interactions energy: -115.043 where: short stacking energy: -40.888 Base-Backbone interact. energy: -0.378 local terms energy: -51.036733 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -2.973 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: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -153.143540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.143540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.143540 (E_RNA) where: Base-Base interactions energy: -87.762 where: short stacking energy: -41.304 Base-Backbone interact. energy: -0.155 local terms energy: -65.226530 where: bonds (distance) C4'-P energy: -17.087 bonds (distance) P-C4' energy: -16.839 flat angles C4'-P-C4' energy: -15.504 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -9.832 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: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -137.922710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.922710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.922710 (E_RNA) where: Base-Base interactions energy: -84.051 where: short stacking energy: -40.114 Base-Backbone interact. energy: -0.189 local terms energy: -53.682891 where: bonds (distance) C4'-P energy: -8.163 bonds (distance) P-C4' energy: -17.782 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -7.881 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: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -142.905168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.905168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.905168 (E_RNA) where: Base-Base interactions energy: -84.810 where: short stacking energy: -39.811 Base-Backbone interact. energy: -0.568 local terms energy: -57.527324 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -15.421 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -3.548 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: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -90.330477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.330477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.330477 (E_RNA) where: Base-Base interactions energy: -38.271 where: short stacking energy: -38.271 Base-Backbone interact. energy: -0.031 local terms energy: -52.028728 where: bonds (distance) C4'-P energy: -14.186 bonds (distance) P-C4' energy: -8.009 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -9.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -87.941524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.941524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.941524 (E_RNA) where: Base-Base interactions energy: -40.196 where: short stacking energy: -36.472 Base-Backbone interact. energy: -0.031 local terms energy: -47.713620 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -7.006 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: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -182.314649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.314649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.314649 (E_RNA) where: Base-Base interactions energy: -106.524 where: short stacking energy: -60.792 Base-Backbone interact. energy: -0.295 local terms energy: -75.496053 where: bonds (distance) C4'-P energy: -16.279 bonds (distance) P-C4' energy: -14.891 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -14.027 tors. eta vs tors. theta energy: -16.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -201.108023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.108023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.108023 (E_RNA) where: Base-Base interactions energy: -127.730 where: short stacking energy: -71.283 Base-Backbone interact. energy: -0.065 local terms energy: -73.313096 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -15.690 flat angles C4'-P-C4' energy: -18.092 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -17.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -195.748525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.748525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.748525 (E_RNA) where: Base-Base interactions energy: -137.346 where: short stacking energy: -52.747 Base-Backbone interact. energy: -0.482 local terms energy: -57.919816 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -14.926 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -9.359 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: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -170.600941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.600941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.600941 (E_RNA) where: Base-Base interactions energy: -114.995 where: short stacking energy: -45.783 Base-Backbone interact. energy: -0.436 local terms energy: -55.169952 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -157.191274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.191274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.191274 (E_RNA) where: Base-Base interactions energy: -94.337 where: short stacking energy: -51.935 Base-Backbone interact. energy: -0.237 local terms energy: -62.617875 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -11.492 tors. eta vs tors. theta energy: -7.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -157.353036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.353036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.353036 (E_RNA) where: Base-Base interactions energy: -95.455 where: short stacking energy: -40.785 Base-Backbone interact. energy: -0.578 local terms energy: -61.319982 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -16.068 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -9.319 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: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -105.338803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.338803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.338803 (E_RNA) where: Base-Base interactions energy: -60.231 where: short stacking energy: -22.147 Base-Backbone interact. energy: -0.081 local terms energy: -45.026192 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -16.252 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: 0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -142.393021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.393021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.393021 (E_RNA) where: Base-Base interactions energy: -84.400 where: short stacking energy: -45.454 Base-Backbone interact. energy: 0.549 local terms energy: -58.542700 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -8.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -84.401748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.401748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.401748 (E_RNA) where: Base-Base interactions energy: -34.849 where: short stacking energy: -35.191 Base-Backbone interact. energy: -0.220 local terms energy: -49.332454 where: bonds (distance) C4'-P energy: -13.320 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -75.319954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.319954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.319954 (E_RNA) where: Base-Base interactions energy: -27.953 where: short stacking energy: -27.953 Base-Backbone interact. energy: 0.032 local terms energy: -47.399671 where: bonds (distance) C4'-P energy: -10.174 bonds (distance) P-C4' energy: -14.111 flat angles C4'-P-C4' energy: -10.029 flat angles P-C4'-P energy: -12.258 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -205.969487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.969487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.969487 (E_RNA) where: Base-Base interactions energy: -131.839 where: short stacking energy: -74.564 Base-Backbone interact. energy: -0.001 local terms energy: -74.129019 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -13.770 flat angles C4'-P-C4' energy: -16.727 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -19.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -182.564161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.564161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.564161 (E_RNA) where: Base-Base interactions energy: -109.923 where: short stacking energy: -62.947 Base-Backbone interact. energy: -0.098 local terms energy: -72.542808 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -16.982 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -176.693054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.693054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.693054 (E_RNA) where: Base-Base interactions energy: -112.729 where: short stacking energy: -42.260 Base-Backbone interact. energy: -0.036 local terms energy: -63.927380 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -18.429 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -163.240464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.240464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.240464 (E_RNA) where: Base-Base interactions energy: -93.577 where: short stacking energy: -54.636 Base-Backbone interact. energy: 0.806 local terms energy: -70.469833 where: bonds (distance) C4'-P energy: -15.460 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -16.634 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -12.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -167.918660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.918660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.918660 (E_RNA) where: Base-Base interactions energy: -99.461 where: short stacking energy: -58.888 Base-Backbone interact. energy: -0.071 local terms energy: -68.386535 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -15.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -156.557752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.557752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.557752 (E_RNA) where: Base-Base interactions energy: -95.916 where: short stacking energy: -41.442 Base-Backbone interact. energy: -0.076 local terms energy: -60.565493 where: bonds (distance) C4'-P energy: -15.505 bonds (distance) P-C4' energy: -15.567 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -10.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -167.888498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.888498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.888498 (E_RNA) where: Base-Base interactions energy: -100.236 where: short stacking energy: -47.898 Base-Backbone interact. energy: -0.319 local terms energy: -67.332896 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -116.077979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.077979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.077979 (E_RNA) where: Base-Base interactions energy: -55.064 where: short stacking energy: -35.576 Base-Backbone interact. energy: -0.695 local terms energy: -60.318478 where: bonds (distance) C4'-P energy: -16.454 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -8.200 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: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -86.382419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.382419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.382419 (E_RNA) where: Base-Base interactions energy: -49.562 where: short stacking energy: -24.434 Base-Backbone interact. energy: -0.242 local terms energy: -36.578888 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: 2.034 tors. eta vs tors. theta energy: -0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -84.126179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.126179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.126179 (E_RNA) where: Base-Base interactions energy: -36.029 where: short stacking energy: -26.595 Base-Backbone interact. energy: -0.458 local terms energy: -47.639261 where: bonds (distance) C4'-P energy: -18.218 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -9.993 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -208.801909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.801909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.801909 (E_RNA) where: Base-Base interactions energy: -128.736 where: short stacking energy: -66.180 Base-Backbone interact. energy: -0.029 local terms energy: -80.036778 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -17.730 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: -19.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -175.018643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.018643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.018643 (E_RNA) where: Base-Base interactions energy: -108.831 where: short stacking energy: -65.011 Base-Backbone interact. energy: -1.219 local terms energy: -64.969068 where: bonds (distance) C4'-P energy: -15.826 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -15.530 flat angles P-C4'-P energy: -12.162 tors. eta vs tors. theta energy: -11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -175.488558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.488558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.488558 (E_RNA) where: Base-Base interactions energy: -105.297 where: short stacking energy: -57.425 Base-Backbone interact. energy: -0.057 local terms energy: -70.134062 where: bonds (distance) C4'-P energy: -14.177 bonds (distance) P-C4' energy: -17.972 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -14.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -181.639686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.639686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.639686 (E_RNA) where: Base-Base interactions energy: -109.555 where: short stacking energy: -62.245 Base-Backbone interact. energy: 0.958 local terms energy: -73.043305 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -10.545 tors. eta vs tors. theta energy: -19.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -167.201580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.201580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.201580 (E_RNA) where: Base-Base interactions energy: -102.688 where: short stacking energy: -56.281 Base-Backbone interact. energy: -0.036 local terms energy: -64.477058 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -15.880 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -11.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -158.197797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.197797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.197797 (E_RNA) where: Base-Base interactions energy: -101.137 where: short stacking energy: -55.472 Base-Backbone interact. energy: -0.040 local terms energy: -57.021000 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -154.778114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.778114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.778114 (E_RNA) where: Base-Base interactions energy: -96.128 where: short stacking energy: -49.847 Base-Backbone interact. energy: -1.081 local terms energy: -57.569352 where: bonds (distance) C4'-P energy: -15.105 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -9.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -88.781013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.781013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.781013 (E_RNA) where: Base-Base interactions energy: -34.484 where: short stacking energy: -33.995 Base-Backbone interact. energy: -0.142 local terms energy: -54.154682 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -6.558 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: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -90.218952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.218952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.218952 (E_RNA) where: Base-Base interactions energy: -47.504 where: short stacking energy: -24.581 Base-Backbone interact. energy: -0.788 local terms energy: -41.926749 where: bonds (distance) C4'-P energy: -6.195 bonds (distance) P-C4' energy: -13.671 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -100.463397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.463397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.463397 (E_RNA) where: Base-Base interactions energy: -43.715 where: short stacking energy: -42.698 Base-Backbone interact. energy: -0.394 local terms energy: -56.353857 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -176.333308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.333308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.333308 (E_RNA) where: Base-Base interactions energy: -118.539 where: short stacking energy: -48.552 Base-Backbone interact. energy: -0.086 local terms energy: -57.708121 where: bonds (distance) C4'-P energy: -14.936 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -10.952 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -8.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -201.831032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.831032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.831032 (E_RNA) where: Base-Base interactions energy: -127.082 where: short stacking energy: -69.454 Base-Backbone interact. energy: -0.356 local terms energy: -74.392677 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -18.289 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: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -175.980054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.980054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.980054 (E_RNA) where: Base-Base interactions energy: -102.228 where: short stacking energy: -61.569 Base-Backbone interact. energy: 0.469 local terms energy: -74.220785 where: bonds (distance) C4'-P energy: -17.593 bonds (distance) P-C4' energy: -17.559 flat angles C4'-P-C4' energy: -12.203 flat angles P-C4'-P energy: -12.604 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -166.245310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.245310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.245310 (E_RNA) where: Base-Base interactions energy: -101.105 where: short stacking energy: -59.440 Base-Backbone interact. energy: -0.177 local terms energy: -64.963893 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -14.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -169.774590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.774590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.774590 (E_RNA) where: Base-Base interactions energy: -105.780 where: short stacking energy: -57.802 Base-Backbone interact. energy: -0.018 local terms energy: -63.976127 where: bonds (distance) C4'-P energy: -10.872 bonds (distance) P-C4' energy: -13.685 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -14.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -159.573489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.573489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.573489 (E_RNA) where: Base-Base interactions energy: -98.158 where: short stacking energy: -43.974 Base-Backbone interact. energy: -0.760 local terms energy: -60.655818 where: bonds (distance) C4'-P energy: -16.653 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -151.751878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.751878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.751878 (E_RNA) where: Base-Base interactions energy: -93.441 where: short stacking energy: -52.446 Base-Backbone interact. energy: -0.662 local terms energy: -57.649376 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -105.723312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.723312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.723312 (E_RNA) where: Base-Base interactions energy: -47.132 where: short stacking energy: -36.080 Base-Backbone interact. energy: -0.051 local terms energy: -58.540803 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -14.820 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -9.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -82.921658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.921658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.921658 (E_RNA) where: Base-Base interactions energy: -45.247 where: short stacking energy: -18.962 Base-Backbone interact. energy: -0.180 local terms energy: -37.494543 where: bonds (distance) C4'-P energy: -11.101 bonds (distance) P-C4' energy: -16.829 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: 1.742 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -85.137803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.137803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.137803 (E_RNA) where: Base-Base interactions energy: -40.006 where: short stacking energy: -26.660 Base-Backbone interact. energy: -0.334 local terms energy: -44.798083 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -16.204 flat angles C4'-P-C4' energy: -9.673 flat angles P-C4'-P energy: -8.107 tors. eta vs tors. theta energy: 0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -186.422242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.422242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.422242 (E_RNA) where: Base-Base interactions energy: -120.201 where: short stacking energy: -66.909 Base-Backbone interact. energy: -0.125 local terms energy: -66.096538 where: bonds (distance) C4'-P energy: -17.121 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -17.284 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: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -188.761933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.761933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.761933 (E_RNA) where: Base-Base interactions energy: -124.211 where: short stacking energy: -53.356 Base-Backbone interact. energy: -1.139 local terms energy: -63.411815 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -13.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -174.116045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.116045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.116045 (E_RNA) where: Base-Base interactions energy: -106.988 where: short stacking energy: -58.667 Base-Backbone interact. energy: -0.043 local terms energy: -67.084636 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -178.128959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.128959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.128959 (E_RNA) where: Base-Base interactions energy: -121.958 where: short stacking energy: -58.695 Base-Backbone interact. energy: -0.121 local terms energy: -56.050199 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -7.590 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -9.597 tors. eta vs tors. theta energy: -13.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -164.517010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.517010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.517010 (E_RNA) where: Base-Base interactions energy: -97.774 where: short stacking energy: -50.972 Base-Backbone interact. energy: -0.093 local terms energy: -66.650120 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -13.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -162.713692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.713692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.713692 (E_RNA) where: Base-Base interactions energy: -96.768 where: short stacking energy: -48.910 Base-Backbone interact. energy: -0.086 local terms energy: -65.860013 where: bonds (distance) C4'-P energy: -15.614 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -9.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -156.670482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.670482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.670482 (E_RNA) where: Base-Base interactions energy: -99.118 where: short stacking energy: -50.626 Base-Backbone interact. energy: -0.036 local terms energy: -57.516526 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -12.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -148.706309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.706309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.706309 (E_RNA) where: Base-Base interactions energy: -84.943 where: short stacking energy: -41.847 Base-Backbone interact. energy: 0.378 local terms energy: -64.141279 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -12.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -87.845280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.845280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.845280 (E_RNA) where: Base-Base interactions energy: -44.015 where: short stacking energy: -33.479 Base-Backbone interact. energy: 0.126 local terms energy: -43.956593 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -13.752 flat angles C4'-P-C4' energy: -12.635 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.919 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: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -83.809237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.809237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.809237 (E_RNA) where: Base-Base interactions energy: -36.002 where: short stacking energy: -36.002 Base-Backbone interact. energy: -1.323 local terms energy: -46.484603 where: bonds (distance) C4'-P energy: -10.641 bonds (distance) P-C4' energy: -12.847 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -205.242174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.242174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.242174 (E_RNA) where: Base-Base interactions energy: -121.577 where: short stacking energy: -73.011 Base-Backbone interact. energy: -0.005 local terms energy: -83.659751 where: bonds (distance) C4'-P energy: -17.274 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -16.275 flat angles P-C4'-P energy: -11.660 tors. eta vs tors. theta energy: -22.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -177.504415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.504415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.504415 (E_RNA) where: Base-Base interactions energy: -109.740 where: short stacking energy: -67.707 Base-Backbone interact. energy: -0.001 local terms energy: -67.763617 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -9.273 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -12.161 tors. eta vs tors. theta energy: -17.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -180.480625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.480625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.480625 (E_RNA) where: Base-Base interactions energy: -115.201 where: short stacking energy: -60.585 Base-Backbone interact. energy: -0.091 local terms energy: -65.188755 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -11.865 tors. eta vs tors. theta energy: -12.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -177.972637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.972637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.972637 (E_RNA) where: Base-Base interactions energy: -103.881 where: short stacking energy: -61.784 Base-Backbone interact. energy: -0.405 local terms energy: -73.686805 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -15.772 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -149.659211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.659211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.659211 (E_RNA) where: Base-Base interactions energy: -88.680 where: short stacking energy: -43.237 Base-Backbone interact. energy: -0.005 local terms energy: -60.973407 where: bonds (distance) C4'-P energy: -15.229 bonds (distance) P-C4' energy: -15.817 flat angles C4'-P-C4' energy: -13.067 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -149.938283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.938283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.938283 (E_RNA) where: Base-Base interactions energy: -94.790 where: short stacking energy: -50.047 Base-Backbone interact. energy: -0.097 local terms energy: -55.051588 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -11.786 tors. eta vs tors. theta energy: -8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -149.687930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.687930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.687930 (E_RNA) where: Base-Base interactions energy: -96.805 where: short stacking energy: -51.123 Base-Backbone interact. energy: -0.220 local terms energy: -52.663039 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -11.624 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -12.253 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: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -151.369146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.369146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.369146 (E_RNA) where: Base-Base interactions energy: -97.092 where: short stacking energy: -45.398 Base-Backbone interact. energy: 1.087 local terms energy: -55.364359 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -10.036 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -10.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -89.750165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.750165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.750165 (E_RNA) where: Base-Base interactions energy: -38.662 where: short stacking energy: -38.543 Base-Backbone interact. energy: -0.199 local terms energy: -50.889255 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -3.692 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: 3 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -75.790472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.790472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.790472 (E_RNA) where: Base-Base interactions energy: -27.558 where: short stacking energy: -23.600 Base-Backbone interact. energy: -0.554 local terms energy: -47.677902 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -9.518 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -199.183523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.183523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.183523 (E_RNA) where: Base-Base interactions energy: -123.126 where: short stacking energy: -65.760 Base-Backbone interact. energy: -0.025 local terms energy: -76.032754 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -16.434 flat angles P-C4'-P energy: -13.012 tors. eta vs tors. theta energy: -16.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -182.158570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.158570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.158570 (E_RNA) where: Base-Base interactions energy: -105.518 where: short stacking energy: -59.806 Base-Backbone interact. energy: 0.139 local terms energy: -76.778985 where: bonds (distance) C4'-P energy: -15.862 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -18.144 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -178.196385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.196385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.196385 (E_RNA) where: Base-Base interactions energy: -108.512 where: short stacking energy: -66.444 Base-Backbone interact. energy: -0.011 local terms energy: -69.672868 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -14.666 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: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -166.615527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.615527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.615527 (E_RNA) where: Base-Base interactions energy: -105.304 where: short stacking energy: -50.570 Base-Backbone interact. energy: -0.912 local terms energy: -60.400315 where: bonds (distance) C4'-P energy: -15.258 bonds (distance) P-C4' energy: -14.655 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -7.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -167.872324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.872324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.872324 (E_RNA) where: Base-Base interactions energy: -98.474 where: short stacking energy: -57.668 Base-Backbone interact. energy: -0.180 local terms energy: -69.217890 where: bonds (distance) C4'-P energy: -16.110 bonds (distance) P-C4' energy: -16.096 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -13.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -157.382651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.382651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.382651 (E_RNA) where: Base-Base interactions energy: -94.772 where: short stacking energy: -47.531 Base-Backbone interact. energy: -0.108 local terms energy: -62.502872 where: bonds (distance) C4'-P energy: -11.613 bonds (distance) P-C4' energy: -15.426 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -13.949 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: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -155.681982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.681982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.681982 (E_RNA) where: Base-Base interactions energy: -89.425 where: short stacking energy: -49.262 Base-Backbone interact. energy: -0.167 local terms energy: -66.090897 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -15.545 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -12.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -147.090525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.090525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.090525 (E_RNA) where: Base-Base interactions energy: -86.034 where: short stacking energy: -42.919 Base-Backbone interact. energy: -0.062 local terms energy: -60.994721 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -11.556 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: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -81.077531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.077531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.077531 (E_RNA) where: Base-Base interactions energy: -37.706 where: short stacking energy: -18.139 Base-Backbone interact. energy: -0.093 local terms energy: -43.278707 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -10.004 flat angles C4'-P-C4' energy: -10.557 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -88.835127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.835127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.835127 (E_RNA) where: Base-Base interactions energy: -44.184 where: short stacking energy: -34.585 Base-Backbone interact. energy: -0.012 local terms energy: -44.639593 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -2.956 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: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -209.410273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.410273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.410273 (E_RNA) where: Base-Base interactions energy: -137.427 where: short stacking energy: -63.749 Base-Backbone interact. energy: -0.045 local terms energy: -71.938411 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -19.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -181.094266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.094266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.094266 (E_RNA) where: Base-Base interactions energy: -118.231 where: short stacking energy: -53.125 Base-Backbone interact. energy: 0.357 local terms energy: -63.220375 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -16.771 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -14.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -177.355575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.355575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.355575 (E_RNA) where: Base-Base interactions energy: -105.828 where: short stacking energy: -54.376 Base-Backbone interact. energy: -0.197 local terms energy: -71.330778 where: bonds (distance) C4'-P energy: -17.353 bonds (distance) P-C4' energy: -15.615 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -12.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -173.883820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.883820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.883820 (E_RNA) where: Base-Base interactions energy: -106.672 where: short stacking energy: -64.784 Base-Backbone interact. energy: -0.007 local terms energy: -67.205330 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -13.176 flat angles C4'-P-C4' energy: -16.719 flat angles P-C4'-P energy: -9.068 tors. eta vs tors. theta energy: -17.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -168.920913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.920913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.920913 (E_RNA) where: Base-Base interactions energy: -102.234 where: short stacking energy: -58.674 Base-Backbone interact. energy: -0.491 local terms energy: -66.196431 where: bonds (distance) C4'-P energy: -16.214 bonds (distance) P-C4' energy: -12.971 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -14.954 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: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -155.793979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.793979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.793979 (E_RNA) where: Base-Base interactions energy: -87.488 where: short stacking energy: -47.856 Base-Backbone interact. energy: 0.031 local terms energy: -68.336430 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -12.931 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -13.482 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -154.929895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.929895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.929895 (E_RNA) where: Base-Base interactions energy: -93.570 where: short stacking energy: -44.197 Base-Backbone interact. energy: -0.630 local terms energy: -60.729181 where: bonds (distance) C4'-P energy: -16.458 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -147.112835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.112835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.112835 (E_RNA) where: Base-Base interactions energy: -82.975 where: short stacking energy: -40.823 Base-Backbone interact. energy: 0.191 local terms energy: -64.328934 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -17.803 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -10.075 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: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -85.029276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.029276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.029276 (E_RNA) where: Base-Base interactions energy: -32.404 where: short stacking energy: -27.283 Base-Backbone interact. energy: -0.340 local terms energy: -52.284881 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -14.048 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -6.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -90.530607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.530607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.530607 (E_RNA) where: Base-Base interactions energy: -46.283 where: short stacking energy: -36.257 Base-Backbone interact. energy: -0.667 local terms energy: -43.581142 where: bonds (distance) C4'-P energy: -7.669 bonds (distance) P-C4' energy: -8.222 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -8.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -209.522420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.522420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.522420 (E_RNA) where: Base-Base interactions energy: -138.913 where: short stacking energy: -61.908 Base-Backbone interact. energy: 0.583 local terms energy: -71.191989 where: bonds (distance) C4'-P energy: -16.607 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -18.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -173.391172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.391172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.391172 (E_RNA) where: Base-Base interactions energy: -104.701 where: short stacking energy: -61.720 Base-Backbone interact. energy: -0.299 local terms energy: -68.391200 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -16.582 flat angles C4'-P-C4' energy: -16.766 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -12.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -173.487480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.487480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.487480 (E_RNA) where: Base-Base interactions energy: -102.687 where: short stacking energy: -55.747 Base-Backbone interact. energy: -0.171 local terms energy: -70.629778 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -17.361 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -14.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -181.597351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.597351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.597351 (E_RNA) where: Base-Base interactions energy: -118.956 where: short stacking energy: -66.760 Base-Backbone interact. energy: -0.434 local terms energy: -62.207247 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -16.557 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: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -155.719054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.719054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.719054 (E_RNA) where: Base-Base interactions energy: -94.146 where: short stacking energy: -41.942 Base-Backbone interact. energy: -0.072 local terms energy: -61.501286 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -17.833 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -155.477110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.477110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.477110 (E_RNA) where: Base-Base interactions energy: -94.641 where: short stacking energy: -41.562 Base-Backbone interact. energy: -0.049 local terms energy: -60.788014 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -8.131 flat angles C4'-P-C4' energy: -16.896 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -149.359408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.359408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.359408 (E_RNA) where: Base-Base interactions energy: -86.920 where: short stacking energy: -42.937 Base-Backbone interact. energy: -0.017 local terms energy: -62.422351 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -10.050 tors. eta vs tors. theta energy: -11.107 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: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -107.210209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.210209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.210209 (E_RNA) where: Base-Base interactions energy: -54.786 where: short stacking energy: -43.413 Base-Backbone interact. energy: -0.056 local terms energy: -52.368737 where: bonds (distance) C4'-P energy: -9.974 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -144.329966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.329966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.329966 (E_RNA) where: Base-Base interactions energy: -91.459 where: short stacking energy: -49.601 Base-Backbone interact. energy: -0.626 local terms energy: -52.244818 where: bonds (distance) C4'-P energy: -11.193 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -11.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -79.469219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.469219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.469219 (E_RNA) where: Base-Base interactions energy: -30.961 where: short stacking energy: -25.565 Base-Backbone interact. energy: -0.340 local terms energy: -48.167691 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: 0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -204.112783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.112783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.112783 (E_RNA) where: Base-Base interactions energy: -127.628 where: short stacking energy: -67.502 Base-Backbone interact. energy: -0.443 local terms energy: -76.041851 where: bonds (distance) C4'-P energy: -15.229 bonds (distance) P-C4' energy: -16.970 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -8.738 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -187.080996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.080996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.080996 (E_RNA) where: Base-Base interactions energy: -117.930 where: short stacking energy: -51.133 Base-Backbone interact. energy: -0.281 local terms energy: -68.870652 where: bonds (distance) C4'-P energy: -17.730 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: -12.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -202.531823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.531823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.531823 (E_RNA) where: Base-Base interactions energy: -125.574 where: short stacking energy: -64.439 Base-Backbone interact. energy: -0.024 local terms energy: -76.933717 where: bonds (distance) C4'-P energy: -12.467 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -11.847 tors. eta vs tors. theta energy: -20.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -157.064437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.064437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.064437 (E_RNA) where: Base-Base interactions energy: -95.496 where: short stacking energy: -49.210 Base-Backbone interact. energy: -0.146 local terms energy: -61.422732 where: bonds (distance) C4'-P energy: -15.497 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -10.882 tors. eta vs tors. theta energy: -9.678 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: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -165.987297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.987297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.987297 (E_RNA) where: Base-Base interactions energy: -100.538 where: short stacking energy: -58.491 Base-Backbone interact. energy: -0.262 local terms energy: -65.187285 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -16.324 flat angles C4'-P-C4' energy: -17.073 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -8.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -161.508345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.508345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.508345 (E_RNA) where: Base-Base interactions energy: -96.833 where: short stacking energy: -53.216 Base-Backbone interact. energy: -0.140 local terms energy: -64.535468 where: bonds (distance) C4'-P energy: -11.193 bonds (distance) P-C4' energy: -17.383 flat angles C4'-P-C4' energy: -10.247 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -149.787937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.787937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.787937 (E_RNA) where: Base-Base interactions energy: -81.500 where: short stacking energy: -39.130 Base-Backbone interact. energy: -0.019 local terms energy: -68.268513 where: bonds (distance) C4'-P energy: -17.593 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -11.338 tors. eta vs tors. theta energy: -9.461 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: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -88.777800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.777800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.777800 (E_RNA) where: Base-Base interactions energy: -40.063 where: short stacking energy: -19.665 Base-Backbone interact. energy: -0.406 local terms energy: -48.308660 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -11.793 tors. eta vs tors. theta energy: 0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -142.166256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.166256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.166256 (E_RNA) where: Base-Base interactions energy: -88.532 where: short stacking energy: -42.122 Base-Backbone interact. energy: -0.092 local terms energy: -53.542836 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -9.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -80.083256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.083256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.083256 (E_RNA) where: Base-Base interactions energy: -32.082 where: short stacking energy: -32.082 Base-Backbone interact. energy: -0.031 local terms energy: -47.970917 where: bonds (distance) C4'-P energy: -9.015 bonds (distance) P-C4' energy: -14.556 flat angles C4'-P-C4' energy: -10.250 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -6.810 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: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -209.219557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.219557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.219557 (E_RNA) where: Base-Base interactions energy: -133.808 where: short stacking energy: -64.713 Base-Backbone interact. energy: -0.569 local terms energy: -74.842810 where: bonds (distance) C4'-P energy: -16.331 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -14.961 flat angles P-C4'-P energy: -10.689 tors. eta vs tors. theta energy: -16.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -210.994403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.994403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.994403 (E_RNA) where: Base-Base interactions energy: -133.660 where: short stacking energy: -65.995 Base-Backbone interact. energy: -0.003 local terms energy: -77.332234 where: bonds (distance) C4'-P energy: -10.794 bonds (distance) P-C4' energy: -17.295 flat angles C4'-P-C4' energy: -17.055 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -179.638924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.638924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.638924 (E_RNA) where: Base-Base interactions energy: -116.092 where: short stacking energy: -51.518 Base-Backbone interact. energy: 1.879 local terms energy: -65.425500 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -16.636 flat angles C4'-P-C4' energy: -12.350 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -10.050 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: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -165.280333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.280333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.280333 (E_RNA) where: Base-Base interactions energy: -107.071 where: short stacking energy: -50.163 Base-Backbone interact. energy: -0.126 local terms energy: -58.084145 where: bonds (distance) C4'-P energy: -10.511 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -16.460 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -162.374838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.374838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.374838 (E_RNA) where: Base-Base interactions energy: -99.247 where: short stacking energy: -55.054 Base-Backbone interact. energy: -0.143 local terms energy: -62.984920 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -14.412 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -14.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -159.199598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.199598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.199598 (E_RNA) where: Base-Base interactions energy: -91.869 where: short stacking energy: -43.543 Base-Backbone interact. energy: -0.312 local terms energy: -67.018012 where: bonds (distance) C4'-P energy: -17.194 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -11.173 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: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -147.933144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.933144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.933144 (E_RNA) where: Base-Base interactions energy: -88.614 where: short stacking energy: -41.184 Base-Backbone interact. energy: -0.076 local terms energy: -59.242777 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -9.883 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -11.853 tors. eta vs tors. theta energy: -13.109 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: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -143.249910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.249910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.249910 (E_RNA) where: Base-Base interactions energy: -81.080 where: short stacking energy: -36.989 Base-Backbone interact. energy: -0.091 local terms energy: -62.078089 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -76.441434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.441434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.441434 (E_RNA) where: Base-Base interactions energy: -32.204 where: short stacking energy: -16.334 Base-Backbone interact. energy: -0.065 local terms energy: -44.172822 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: 4.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -78.238198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.238198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.238198 (E_RNA) where: Base-Base interactions energy: -25.026 where: short stacking energy: -25.026 Base-Backbone interact. energy: 0.409 local terms energy: -53.621208 where: bonds (distance) C4'-P energy: -17.076 bonds (distance) P-C4' energy: -15.246 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -185.357138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.357138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.357138 (E_RNA) where: Base-Base interactions energy: -114.625 where: short stacking energy: -59.402 Base-Backbone interact. energy: -0.221 local terms energy: -70.510793 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -17.995 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -13.276 tors. eta vs tors. theta energy: -11.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -202.994987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.994987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.994987 (E_RNA) where: Base-Base interactions energy: -129.389 where: short stacking energy: -60.514 Base-Backbone interact. energy: -0.160 local terms energy: -73.445693 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -19.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -167.907779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.907779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.907779 (E_RNA) where: Base-Base interactions energy: -105.990 where: short stacking energy: -61.155 Base-Backbone interact. energy: -0.024 local terms energy: -61.893854 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -8.182 tors. eta vs tors. theta energy: -11.894 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: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -175.606803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.606803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.606803 (E_RNA) where: Base-Base interactions energy: -111.389 where: short stacking energy: -52.509 Base-Backbone interact. energy: -0.107 local terms energy: -64.109912 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -10.467 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -159.195182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.195182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.195182 (E_RNA) where: Base-Base interactions energy: -94.746 where: short stacking energy: -50.232 Base-Backbone interact. energy: -0.080 local terms energy: -64.369052 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -10.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -161.896631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.896631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.896631 (E_RNA) where: Base-Base interactions energy: -98.511 where: short stacking energy: -51.174 Base-Backbone interact. energy: -0.191 local terms energy: -63.194424 where: bonds (distance) C4'-P energy: -15.221 bonds (distance) P-C4' energy: -8.710 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -150.909188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.909188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.909188 (E_RNA) where: Base-Base interactions energy: -88.785 where: short stacking energy: -39.867 Base-Backbone interact. energy: 0.445 local terms energy: -62.569231 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -11.485 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -150.682073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.682073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.682073 (E_RNA) where: Base-Base interactions energy: -92.463 where: short stacking energy: -51.816 Base-Backbone interact. energy: -0.037 local terms energy: -58.182248 where: bonds (distance) C4'-P energy: -12.268 bonds (distance) P-C4' energy: -11.455 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -11.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -87.049139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.049139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.049139 (E_RNA) where: Base-Base interactions energy: -45.608 where: short stacking energy: -34.421 Base-Backbone interact. energy: -0.430 local terms energy: -41.011253 where: bonds (distance) C4'-P energy: -9.796 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -1.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -82.084135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.084135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.084135 (E_RNA) where: Base-Base interactions energy: -18.774 where: short stacking energy: -18.774 Base-Backbone interact. energy: -0.255 local terms energy: -63.055358 where: bonds (distance) C4'-P energy: -16.222 bonds (distance) P-C4' energy: -16.568 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -210.580528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.580528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.580528 (E_RNA) where: Base-Base interactions energy: -139.294 where: short stacking energy: -70.862 Base-Backbone interact. energy: 2.643 local terms energy: -73.929884 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -18.496 flat angles P-C4'-P energy: -12.828 tors. eta vs tors. theta energy: -12.118 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: 199 Temperature: 0.950000 Total energy: -201.149145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.149145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.149145 (E_RNA) where: Base-Base interactions energy: -133.941 where: short stacking energy: -60.725 Base-Backbone interact. energy: -0.582 local terms energy: -66.626033 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -17.759 flat angles P-C4'-P energy: -10.164 tors. eta vs tors. theta energy: -13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -162.506324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.506324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.506324 (E_RNA) where: Base-Base interactions energy: -104.578 where: short stacking energy: -57.571 Base-Backbone interact. energy: 0.102 local terms energy: -58.030044 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -16.873 flat angles C4'-P-C4' energy: -16.428 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -162.050608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.050608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.050608 (E_RNA) where: Base-Base interactions energy: -93.480 where: short stacking energy: -51.950 Base-Backbone interact. energy: -0.920 local terms energy: -67.650521 where: bonds (distance) C4'-P energy: -16.065 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -9.024 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: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -165.843936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.843936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.843936 (E_RNA) where: Base-Base interactions energy: -105.867 where: short stacking energy: -61.633 Base-Backbone interact. energy: -0.165 local terms energy: -59.811254 where: bonds (distance) C4'-P energy: -8.862 bonds (distance) P-C4' energy: -15.226 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -12.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -154.823054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.823054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.823054 (E_RNA) where: Base-Base interactions energy: -99.154 where: short stacking energy: -47.530 Base-Backbone interact. energy: -0.889 local terms energy: -54.780198 where: bonds (distance) C4'-P energy: -9.624 bonds (distance) P-C4' energy: -16.323 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -146.108756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.108756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.108756 (E_RNA) where: Base-Base interactions energy: -92.088 where: short stacking energy: -49.953 Base-Backbone interact. energy: -0.022 local terms energy: -53.998574 where: bonds (distance) C4'-P energy: -9.221 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -151.897920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.897920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.897920 (E_RNA) where: Base-Base interactions energy: -97.646 where: short stacking energy: -53.278 Base-Backbone interact. energy: -0.122 local terms energy: -54.129504 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -10.473 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -9.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -88.613583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.613583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.613583 (E_RNA) where: Base-Base interactions energy: -41.023 where: short stacking energy: -35.269 Base-Backbone interact. energy: -0.259 local terms energy: -47.331718 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -14.270 flat angles C4'-P-C4' energy: -16.955 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -82.022721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.022721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.022721 (E_RNA) where: Base-Base interactions energy: -32.103 where: short stacking energy: -26.034 Base-Backbone interact. energy: -0.103 local terms energy: -49.816902 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -12.014 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -207.831165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.831165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.831165 (E_RNA) where: Base-Base interactions energy: -140.612 where: short stacking energy: -56.893 Base-Backbone interact. energy: -0.877 local terms energy: -66.342167 where: bonds (distance) C4'-P energy: -14.927 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -11.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -192.536776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.536776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.536776 (E_RNA) where: Base-Base interactions energy: -123.540 where: short stacking energy: -61.254 Base-Backbone interact. energy: -0.025 local terms energy: -68.972125 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -17.249 flat angles P-C4'-P energy: -12.780 tors. eta vs tors. theta energy: -13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -176.353054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.353054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.353054 (E_RNA) where: Base-Base interactions energy: -99.934 where: short stacking energy: -54.164 Base-Backbone interact. energy: -0.186 local terms energy: -76.233069 where: bonds (distance) C4'-P energy: -17.886 bonds (distance) P-C4' energy: -16.170 flat angles C4'-P-C4' energy: -17.448 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -13.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -160.119783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.119783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.119783 (E_RNA) where: Base-Base interactions energy: -98.561 where: short stacking energy: -45.473 Base-Backbone interact. energy: 0.834 local terms energy: -62.393609 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -17.580 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -182.579485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.579485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.579485 (E_RNA) where: Base-Base interactions energy: -111.191 where: short stacking energy: -57.872 Base-Backbone interact. energy: 0.939 local terms energy: -72.327136 where: bonds (distance) C4'-P energy: -17.097 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -10.689 flat angles P-C4'-P energy: -11.599 tors. eta vs tors. theta energy: -18.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -164.817344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.817344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.817344 (E_RNA) where: Base-Base interactions energy: -98.305 where: short stacking energy: -53.311 Base-Backbone interact. energy: -0.075 local terms energy: -66.436641 where: bonds (distance) C4'-P energy: -15.940 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -11.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -144.943574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.943574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.943574 (E_RNA) where: Base-Base interactions energy: -86.276 where: short stacking energy: -40.147 Base-Backbone interact. energy: 0.208 local terms energy: -58.875217 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -16.509 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -8.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -157.405033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.405033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.405033 (E_RNA) where: Base-Base interactions energy: -91.869 where: short stacking energy: -46.458 Base-Backbone interact. energy: 0.187 local terms energy: -65.723632 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -17.040 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -10.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -81.586010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.586010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.586010 (E_RNA) where: Base-Base interactions energy: -25.091 where: short stacking energy: -24.487 Base-Backbone interact. energy: -0.384 local terms energy: -56.110614 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -16.485 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -9.026 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -78.418364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.418364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.418364 (E_RNA) where: Base-Base interactions energy: -29.172 where: short stacking energy: -25.462 Base-Backbone interact. energy: 1.092 local terms energy: -50.338716 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -15.918 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -213.808130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.808130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.808130 (E_RNA) where: Base-Base interactions energy: -140.381 where: short stacking energy: -61.786 Base-Backbone interact. energy: -1.145 local terms energy: -72.281883 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -18.662 flat angles C4'-P-C4' energy: -17.190 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -14.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -194.073992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.073992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.073992 (E_RNA) where: Base-Base interactions energy: -119.947 where: short stacking energy: -70.110 Base-Backbone interact. energy: -0.039 local terms energy: -74.088122 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -15.619 flat angles C4'-P-C4' energy: -16.147 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -18.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -165.548433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.548433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.548433 (E_RNA) where: Base-Base interactions energy: -100.353 where: short stacking energy: -57.712 Base-Backbone interact. energy: -0.020 local terms energy: -65.175212 where: bonds (distance) C4'-P energy: -14.952 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -11.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -164.694114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.694114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.694114 (E_RNA) where: Base-Base interactions energy: -98.021 where: short stacking energy: -58.190 Base-Backbone interact. energy: -0.687 local terms energy: -65.986586 where: bonds (distance) C4'-P energy: -14.282 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -15.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -163.906624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.906624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.906624 (E_RNA) where: Base-Base interactions energy: -100.734 where: short stacking energy: -57.998 Base-Backbone interact. energy: 1.462 local terms energy: -64.634601 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -14.197 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: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -158.928931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.928931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.928931 (E_RNA) where: Base-Base interactions energy: -102.561 where: short stacking energy: -56.715 Base-Backbone interact. energy: 0.721 local terms energy: -57.088821 where: bonds (distance) C4'-P energy: -10.262 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -11.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -146.989756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.989756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.989756 (E_RNA) where: Base-Base interactions energy: -87.866 where: short stacking energy: -34.041 Base-Backbone interact. energy: -0.107 local terms energy: -59.015999 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -17.135 flat angles C4'-P-C4' energy: -11.455 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -10.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -152.528586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.528586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.528586 (E_RNA) where: Base-Base interactions energy: -97.393 where: short stacking energy: -36.498 Base-Backbone interact. energy: -0.298 local terms energy: -54.837503 where: bonds (distance) C4'-P energy: -16.582 bonds (distance) P-C4' energy: -10.523 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -83.829589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.829589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.829589 (E_RNA) where: Base-Base interactions energy: -33.549 where: short stacking energy: -32.683 Base-Backbone interact. energy: -0.939 local terms energy: -49.341713 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -8.181 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -83.099787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.099787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.099787 (E_RNA) where: Base-Base interactions energy: -29.935 where: short stacking energy: -29.595 Base-Backbone interact. energy: -0.263 local terms energy: -52.901692 where: bonds (distance) C4'-P energy: -16.405 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -213.029507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.029507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.029507 (E_RNA) where: Base-Base interactions energy: -136.226 where: short stacking energy: -59.618 Base-Backbone interact. energy: 0.508 local terms energy: -77.311679 where: bonds (distance) C4'-P energy: -14.387 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -19.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -192.831123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.831123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.831123 (E_RNA) where: Base-Base interactions energy: -118.938 where: short stacking energy: -72.045 Base-Backbone interact. energy: 0.161 local terms energy: -74.053972 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -17.818 flat angles P-C4'-P energy: -11.269 tors. eta vs tors. theta energy: -19.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -184.504525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.504525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.504525 (E_RNA) where: Base-Base interactions energy: -110.506 where: short stacking energy: -67.164 Base-Backbone interact. energy: -0.009 local terms energy: -73.989281 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -11.650 tors. eta vs tors. theta energy: -17.277 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: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -161.381592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.381592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.381592 (E_RNA) where: Base-Base interactions energy: -98.339 where: short stacking energy: -51.765 Base-Backbone interact. energy: -0.940 local terms energy: -62.102016 where: bonds (distance) C4'-P energy: -15.519 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -8.254 tors. eta vs tors. theta energy: -11.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -162.950466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.950466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.950466 (E_RNA) where: Base-Base interactions energy: -102.647 where: short stacking energy: -47.256 Base-Backbone interact. energy: -0.154 local terms energy: -60.148707 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -15.114 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -155.631926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.631926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.631926 (E_RNA) where: Base-Base interactions energy: -95.047 where: short stacking energy: -57.852 Base-Backbone interact. energy: -0.064 local terms energy: -60.521052 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -11.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -148.204086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.204086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.204086 (E_RNA) where: Base-Base interactions energy: -86.174 where: short stacking energy: -47.846 Base-Backbone interact. energy: -0.016 local terms energy: -62.014536 where: bonds (distance) C4'-P energy: -16.619 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -140.999484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.999484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.999484 (E_RNA) where: Base-Base interactions energy: -87.664 where: short stacking energy: -42.695 Base-Backbone interact. energy: 0.166 local terms energy: -53.501257 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -90.227115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.227115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.227115 (E_RNA) where: Base-Base interactions energy: -37.809 where: short stacking energy: -16.576 Base-Backbone interact. energy: 1.883 local terms energy: -54.301204 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -11.465 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -81.437986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.437986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.437986 (E_RNA) where: Base-Base interactions energy: -32.121 where: short stacking energy: -20.180 Base-Backbone interact. energy: -0.008 local terms energy: -49.309059 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -214.108577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.108577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.108577 (E_RNA) where: Base-Base interactions energy: -137.701 where: short stacking energy: -69.145 Base-Backbone interact. energy: -0.039 local terms energy: -76.369466 where: bonds (distance) C4'-P energy: -13.740 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -11.934 tors. eta vs tors. theta energy: -19.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -199.206262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.206262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.206262 (E_RNA) where: Base-Base interactions energy: -126.466 where: short stacking energy: -61.453 Base-Backbone interact. energy: -0.008 local terms energy: -72.732555 where: bonds (distance) C4'-P energy: -15.345 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -183.863818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.863818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.863818 (E_RNA) where: Base-Base interactions energy: -114.624 where: short stacking energy: -64.679 Base-Backbone interact. energy: 0.218 local terms energy: -69.457957 where: bonds (distance) C4'-P energy: -15.651 bonds (distance) P-C4' energy: -16.378 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -13.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -173.374119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.374119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.374119 (E_RNA) where: Base-Base interactions energy: -104.768 where: short stacking energy: -65.429 Base-Backbone interact. energy: 0.084 local terms energy: -68.690380 where: bonds (distance) C4'-P energy: -15.141 bonds (distance) P-C4' energy: -17.340 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -16.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -160.559629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.559629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.559629 (E_RNA) where: Base-Base interactions energy: -110.267 where: short stacking energy: -47.275 Base-Backbone interact. energy: -0.062 local terms energy: -50.231406 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -9.869 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -8.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -171.374407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.374407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.374407 (E_RNA) where: Base-Base interactions energy: -100.109 where: short stacking energy: -54.623 Base-Backbone interact. energy: -0.035 local terms energy: -71.230021 where: bonds (distance) C4'-P energy: -15.586 bonds (distance) P-C4' energy: -17.721 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -114.919999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.919999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.919999 (E_RNA) where: Base-Base interactions energy: -61.348 where: short stacking energy: -30.603 Base-Backbone interact. energy: -0.102 local terms energy: -53.469528 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -94.769689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.769689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.769689 (E_RNA) where: Base-Base interactions energy: -42.802 where: short stacking energy: -39.830 Base-Backbone interact. energy: -0.235 local terms energy: -51.733047 where: bonds (distance) C4'-P energy: -10.647 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -6.934 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -144.241938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.241938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.241938 (E_RNA) where: Base-Base interactions energy: -83.999 where: short stacking energy: -46.188 Base-Backbone interact. energy: -0.095 local terms energy: -60.147780 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -79.435466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.435466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.435466 (E_RNA) where: Base-Base interactions energy: -29.139 where: short stacking energy: -26.143 Base-Backbone interact. energy: -0.335 local terms energy: -49.961139 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -15.020 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -198.299823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.299823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.299823 (E_RNA) where: Base-Base interactions energy: -127.614 where: short stacking energy: -68.981 Base-Backbone interact. energy: -0.006 local terms energy: -70.679506 where: bonds (distance) C4'-P energy: -14.706 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -9.699 tors. eta vs tors. theta energy: -16.924 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: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -203.358085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.358085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.358085 (E_RNA) where: Base-Base interactions energy: -127.857 where: short stacking energy: -67.305 Base-Backbone interact. energy: -0.259 local terms energy: -75.242297 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -13.642 flat angles P-C4'-P energy: -12.075 tors. eta vs tors. theta energy: -18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -168.721039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.721039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.721039 (E_RNA) where: Base-Base interactions energy: -96.394 where: short stacking energy: -51.018 Base-Backbone interact. energy: -0.013 local terms energy: -72.314453 where: bonds (distance) C4'-P energy: -17.249 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -18.320 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -10.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -162.459237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.459237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.459237 (E_RNA) where: Base-Base interactions energy: -97.732 where: short stacking energy: -52.553 Base-Backbone interact. energy: 0.369 local terms energy: -65.096687 where: bonds (distance) C4'-P energy: -16.118 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -169.675524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.675524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.675524 (E_RNA) where: Base-Base interactions energy: -94.004 where: short stacking energy: -49.863 Base-Backbone interact. energy: -0.102 local terms energy: -75.569857 where: bonds (distance) C4'-P energy: -16.172 bonds (distance) P-C4' energy: -15.270 flat angles C4'-P-C4' energy: -15.765 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -17.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -159.324169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.324169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.324169 (E_RNA) where: Base-Base interactions energy: -102.171 where: short stacking energy: -60.923 Base-Backbone interact. energy: -0.082 local terms energy: -57.071434 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -12.170 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: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -92.137074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.137074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.137074 (E_RNA) where: Base-Base interactions energy: -48.721 where: short stacking energy: -32.283 Base-Backbone interact. energy: 3.357 local terms energy: -46.773631 where: bonds (distance) C4'-P energy: -9.872 bonds (distance) P-C4' energy: -16.800 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -6.725 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -90.924730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.924730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.924730 (E_RNA) where: Base-Base interactions energy: -31.280 where: short stacking energy: -22.876 Base-Backbone interact. energy: -0.199 local terms energy: -59.445987 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -10.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -148.890243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.890243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.890243 (E_RNA) where: Base-Base interactions energy: -86.694 where: short stacking energy: -43.122 Base-Backbone interact. energy: -1.043 local terms energy: -61.153142 where: bonds (distance) C4'-P energy: -14.104 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -12.423 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -90.688972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.688972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.688972 (E_RNA) where: Base-Base interactions energy: -45.501 where: short stacking energy: -32.197 Base-Backbone interact. energy: -0.085 local terms energy: -45.103053 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -10.139 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -191.075439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.075439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.075439 (E_RNA) where: Base-Base interactions energy: -111.514 where: short stacking energy: -64.324 Base-Backbone interact. energy: -0.032 local terms energy: -79.529728 where: bonds (distance) C4'-P energy: -17.336 bonds (distance) P-C4' energy: -14.211 flat angles C4'-P-C4' energy: -16.586 flat angles P-C4'-P energy: -13.367 tors. eta vs tors. theta energy: -18.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -183.818678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.818678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.818678 (E_RNA) where: Base-Base interactions energy: -110.136 where: short stacking energy: -64.251 Base-Backbone interact. energy: -0.030 local terms energy: -73.652811 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -15.797 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -13.180 tors. eta vs tors. theta energy: -18.499 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: 3, replica: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -172.806884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.806884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.806884 (E_RNA) where: Base-Base interactions energy: -99.422 where: short stacking energy: -53.777 Base-Backbone interact. energy: -0.022 local terms energy: -73.362567 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -16.500 flat angles C4'-P-C4' energy: -15.889 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -16.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -157.459501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.459501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.459501 (E_RNA) where: Base-Base interactions energy: -92.233 where: short stacking energy: -48.011 Base-Backbone interact. energy: 1.339 local terms energy: -66.566422 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -16.263 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -164.204691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.204691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.204691 (E_RNA) where: Base-Base interactions energy: -99.268 where: short stacking energy: -54.349 Base-Backbone interact. energy: 0.668 local terms energy: -65.605078 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -15.601 flat angles P-C4'-P energy: -11.980 tors. eta vs tors. theta energy: -14.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -161.434612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.434612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.434612 (E_RNA) where: Base-Base interactions energy: -98.710 where: short stacking energy: -60.585 Base-Backbone interact. energy: -0.020 local terms energy: -62.705127 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -14.574 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -15.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -103.527525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.527525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.527525 (E_RNA) where: Base-Base interactions energy: -53.586 where: short stacking energy: -33.092 Base-Backbone interact. energy: -0.247 local terms energy: -49.694152 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -4.411 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: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -151.261754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.261754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.261754 (E_RNA) where: Base-Base interactions energy: -90.869 where: short stacking energy: -49.322 Base-Backbone interact. energy: -0.152 local terms energy: -60.239889 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -9.310 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -12.686 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -83.409668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.409668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.409668 (E_RNA) where: Base-Base interactions energy: -41.947 where: short stacking energy: -29.543 Base-Backbone interact. energy: -0.115 local terms energy: -41.347424 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -8.213 flat angles C4'-P-C4' energy: -16.440 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: 2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -79.526070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.526070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.526070 (E_RNA) where: Base-Base interactions energy: -26.835 where: short stacking energy: -26.373 Base-Backbone interact. energy: -0.071 local terms energy: -52.620833 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -13.090 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -0.386 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: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -199.468729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.468729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.468729 (E_RNA) where: Base-Base interactions energy: -119.767 where: short stacking energy: -70.876 Base-Backbone interact. energy: -0.016 local terms energy: -79.685781 where: bonds (distance) C4'-P energy: -16.011 bonds (distance) P-C4' energy: -13.868 flat angles C4'-P-C4' energy: -16.013 flat angles P-C4'-P energy: -12.532 tors. eta vs tors. theta energy: -21.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -195.216839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.216839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.216839 (E_RNA) where: Base-Base interactions energy: -116.504 where: short stacking energy: -70.114 Base-Backbone interact. energy: -0.043 local terms energy: -78.669225 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -14.989 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -22.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -171.413070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.413070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.413070 (E_RNA) where: Base-Base interactions energy: -100.667 where: short stacking energy: -61.181 Base-Backbone interact. energy: -0.009 local terms energy: -70.737470 where: bonds (distance) C4'-P energy: -14.686 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -16.287 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: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -177.278438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.278438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.278438 (E_RNA) where: Base-Base interactions energy: -107.772 where: short stacking energy: -64.675 Base-Backbone interact. energy: -0.021 local terms energy: -69.484959 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -15.528 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -14.844 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: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -165.413842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.413842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.413842 (E_RNA) where: Base-Base interactions energy: -95.518 where: short stacking energy: -56.483 Base-Backbone interact. energy: 0.510 local terms energy: -70.405876 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -14.478 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -17.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -154.369642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.369642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.369642 (E_RNA) where: Base-Base interactions energy: -92.600 where: short stacking energy: -44.823 Base-Backbone interact. energy: -0.301 local terms energy: -61.468151 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -15.846 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -10.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -156.170448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.170448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.170448 (E_RNA) where: Base-Base interactions energy: -97.048 where: short stacking energy: -50.461 Base-Backbone interact. energy: -0.192 local terms energy: -58.930108 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -7.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -109.023336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.023336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.023336 (E_RNA) where: Base-Base interactions energy: -61.304 where: short stacking energy: -35.866 Base-Backbone interact. energy: -0.127 local terms energy: -47.591900 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -13.202 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -93.647566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.647566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.647566 (E_RNA) where: Base-Base interactions energy: -38.970 where: short stacking energy: -29.999 Base-Backbone interact. energy: -0.067 local terms energy: -54.611063 where: bonds (distance) C4'-P energy: -17.265 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: 1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -92.409409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.409409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.409409 (E_RNA) where: Base-Base interactions energy: -40.756 where: short stacking energy: -40.756 Base-Backbone interact. energy: 2.687 local terms energy: -54.340495 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -191.872501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.872501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.872501 (E_RNA) where: Base-Base interactions energy: -115.119 where: short stacking energy: -71.761 Base-Backbone interact. energy: -0.003 local terms energy: -76.750563 where: bonds (distance) C4'-P energy: -15.188 bonds (distance) P-C4' energy: -17.219 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -18.594 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: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -189.237066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.237066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.237066 (E_RNA) where: Base-Base interactions energy: -109.260 where: short stacking energy: -66.791 Base-Backbone interact. energy: -0.000 local terms energy: -79.977510 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -17.976 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -21.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -173.407285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.407285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.407285 (E_RNA) where: Base-Base interactions energy: -108.956 where: short stacking energy: -56.113 Base-Backbone interact. energy: 0.131 local terms energy: -64.582313 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -12.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -166.212830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.212830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.212830 (E_RNA) where: Base-Base interactions energy: -97.257 where: short stacking energy: -57.784 Base-Backbone interact. energy: -0.201 local terms energy: -68.755272 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -13.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -166.398905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.398905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.398905 (E_RNA) where: Base-Base interactions energy: -98.006 where: short stacking energy: -53.355 Base-Backbone interact. energy: -0.093 local terms energy: -68.300735 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -17.236 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -8.993 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: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -150.484785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.484785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.484785 (E_RNA) where: Base-Base interactions energy: -89.314 where: short stacking energy: -45.353 Base-Backbone interact. energy: -0.138 local terms energy: -61.032555 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -7.927 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: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -162.324949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.324949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.324949 (E_RNA) where: Base-Base interactions energy: -106.008 where: short stacking energy: -59.741 Base-Backbone interact. energy: -0.127 local terms energy: -56.189590 where: bonds (distance) C4'-P energy: -9.012 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -12.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -89.766065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.766065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.766065 (E_RNA) where: Base-Base interactions energy: -39.135 where: short stacking energy: -39.135 Base-Backbone interact. energy: -0.266 local terms energy: -50.364866 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -11.432 tors. eta vs tors. theta energy: -6.305 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: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -78.035671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.035671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.035671 (E_RNA) where: Base-Base interactions energy: -35.960 where: short stacking energy: -35.960 Base-Backbone interact. energy: -0.273 local terms energy: -41.802575 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -11.897 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -84.578945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.578945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.578945 (E_RNA) where: Base-Base interactions energy: -41.822 where: short stacking energy: -34.585 Base-Backbone interact. energy: -0.109 local terms energy: -42.648175 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -11.960 flat angles P-C4'-P energy: -1.480 tors. eta vs tors. theta energy: -9.275 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: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -197.674970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.674970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.674970 (E_RNA) where: Base-Base interactions energy: -113.823 where: short stacking energy: -71.137 Base-Backbone interact. energy: -0.569 local terms energy: -83.282901 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -16.147 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -21.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -183.771981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.771981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.771981 (E_RNA) where: Base-Base interactions energy: -110.829 where: short stacking energy: -59.760 Base-Backbone interact. energy: 1.957 local terms energy: -74.899821 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -16.486 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -18.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -167.760002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.760002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.760002 (E_RNA) where: Base-Base interactions energy: -101.011 where: short stacking energy: -54.336 Base-Backbone interact. energy: -0.112 local terms energy: -66.637160 where: bonds (distance) C4'-P energy: -12.165 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -14.100 flat angles P-C4'-P energy: -9.372 tors. eta vs tors. theta energy: -13.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -166.338366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.338366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.338366 (E_RNA) where: Base-Base interactions energy: -101.774 where: short stacking energy: -48.011 Base-Backbone interact. energy: -0.786 local terms energy: -63.778887 where: bonds (distance) C4'-P energy: -18.218 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -16.883 flat angles P-C4'-P energy: -8.656 tors. eta vs tors. theta energy: -7.132 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: 5, replica: 5 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -161.155665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.155665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.155665 (E_RNA) where: Base-Base interactions energy: -97.520 where: short stacking energy: -53.201 Base-Backbone interact. energy: -0.134 local terms energy: -63.501823 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -15.771 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -11.426 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: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -162.883370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.883370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.883370 (E_RNA) where: Base-Base interactions energy: -95.742 where: short stacking energy: -46.573 Base-Backbone interact. energy: -0.099 local terms energy: -67.042351 where: bonds (distance) C4'-P energy: -15.259 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -8.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -154.942845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.942845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.942845 (E_RNA) where: Base-Base interactions energy: -96.170 where: short stacking energy: -50.518 Base-Backbone interact. energy: 0.194 local terms energy: -58.966919 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -9.425 flat angles P-C4'-P energy: -12.008 tors. eta vs tors. theta energy: -11.510 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: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -98.143984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.143984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.143984 (E_RNA) where: Base-Base interactions energy: -51.843 where: short stacking energy: -35.070 Base-Backbone interact. energy: 1.168 local terms energy: -47.469636 where: bonds (distance) C4'-P energy: -9.731 bonds (distance) P-C4' energy: -14.592 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -2.575 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: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -93.685485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.685485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.685485 (E_RNA) where: Base-Base interactions energy: -35.287 where: short stacking energy: -35.287 Base-Backbone interact. energy: -0.136 local terms energy: -58.262859 where: bonds (distance) C4'-P energy: -14.599 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -13.414 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -117.870955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.870955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.870955 (E_RNA) where: Base-Base interactions energy: -73.217 where: short stacking energy: -39.144 Base-Backbone interact. energy: 0.276 local terms energy: -44.930039 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -7.433 flat angles C4'-P-C4' energy: -16.206 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -184.962428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.962428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.962428 (E_RNA) where: Base-Base interactions energy: -111.300 where: short stacking energy: -61.066 Base-Backbone interact. energy: -0.006 local terms energy: -73.656601 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -15.807 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -15.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -172.700074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.700074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.700074 (E_RNA) where: Base-Base interactions energy: -104.196 where: short stacking energy: -66.285 Base-Backbone interact. energy: -0.043 local terms energy: -68.461186 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -16.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -196.571559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.571559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.571559 (E_RNA) where: Base-Base interactions energy: -119.716 where: short stacking energy: -68.054 Base-Backbone interact. energy: -0.010 local terms energy: -76.845630 where: bonds (distance) C4'-P energy: -15.746 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -16.596 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -18.157 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: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -159.085577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.085577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.085577 (E_RNA) where: Base-Base interactions energy: -100.025 where: short stacking energy: -56.365 Base-Backbone interact. energy: 0.028 local terms energy: -59.088267 where: bonds (distance) C4'-P energy: -9.073 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -16.284 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -176.305971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.305971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.305971 (E_RNA) where: Base-Base interactions energy: -115.080 where: short stacking energy: -51.247 Base-Backbone interact. energy: -0.070 local terms energy: -61.155257 where: bonds (distance) C4'-P energy: -17.692 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -10.179 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -10.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -171.608239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.608239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.608239 (E_RNA) where: Base-Base interactions energy: -103.223 where: short stacking energy: -53.569 Base-Backbone interact. energy: -0.515 local terms energy: -67.870922 where: bonds (distance) C4'-P energy: -16.707 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -150.708235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.708235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.708235 (E_RNA) where: Base-Base interactions energy: -85.615 where: short stacking energy: -44.147 Base-Backbone interact. energy: -0.495 local terms energy: -64.598692 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -7.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -84.039209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.039209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.039209 (E_RNA) where: Base-Base interactions energy: -27.585 where: short stacking energy: -25.589 Base-Backbone interact. energy: -0.230 local terms energy: -56.224684 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -18.025 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -78.495974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.495974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.495974 (E_RNA) where: Base-Base interactions energy: -26.669 where: short stacking energy: -26.253 Base-Backbone interact. energy: 0.628 local terms energy: -52.454070 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: 2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -100.170499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.170499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.170499 (E_RNA) where: Base-Base interactions energy: -55.368 where: short stacking energy: -35.001 Base-Backbone interact. energy: -0.034 local terms energy: -44.769072 where: bonds (distance) C4'-P energy: -8.580 bonds (distance) P-C4' energy: -16.743 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -193.698649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.698649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.698649 (E_RNA) where: Base-Base interactions energy: -121.158 where: short stacking energy: -75.165 Base-Backbone interact. energy: -0.039 local terms energy: -72.502090 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -16.166 flat angles C4'-P-C4' energy: -10.490 flat angles P-C4'-P energy: -13.087 tors. eta vs tors. theta energy: -18.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -188.316898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.316898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.316898 (E_RNA) where: Base-Base interactions energy: -119.236 where: short stacking energy: -57.718 Base-Backbone interact. energy: -0.075 local terms energy: -69.006116 where: bonds (distance) C4'-P energy: -7.649 bonds (distance) P-C4' energy: -17.917 flat angles C4'-P-C4' energy: -17.493 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -16.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -181.778663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.778663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.778663 (E_RNA) where: Base-Base interactions energy: -115.699 where: short stacking energy: -62.012 Base-Backbone interact. energy: -0.045 local terms energy: -66.034270 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -11.672 tors. eta vs tors. theta energy: -14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -164.383136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.383136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.383136 (E_RNA) where: Base-Base interactions energy: -103.565 where: short stacking energy: -49.816 Base-Backbone interact. energy: -0.125 local terms energy: -60.693369 where: bonds (distance) C4'-P energy: -10.546 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -15.743 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -8.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -166.679547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.679547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.679547 (E_RNA) where: Base-Base interactions energy: -103.582 where: short stacking energy: -43.464 Base-Backbone interact. energy: -0.081 local terms energy: -63.016718 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -7.943 tors. eta vs tors. theta energy: -10.994 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: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -161.597724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.597724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.597724 (E_RNA) where: Base-Base interactions energy: -96.458 where: short stacking energy: -54.650 Base-Backbone interact. energy: -0.103 local terms energy: -65.036693 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -11.939 tors. eta vs tors. theta energy: -14.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -157.088871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.088871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.088871 (E_RNA) where: Base-Base interactions energy: -96.556 where: short stacking energy: -51.873 Base-Backbone interact. energy: -0.416 local terms energy: -60.116906 where: bonds (distance) C4'-P energy: -15.614 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -10.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -85.427144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.427144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.427144 (E_RNA) where: Base-Base interactions energy: -35.023 where: short stacking energy: -23.052 Base-Backbone interact. energy: -0.010 local terms energy: -50.394081 where: bonds (distance) C4'-P energy: -15.643 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -98.104440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.104440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.104440 (E_RNA) where: Base-Base interactions energy: -38.955 where: short stacking energy: -35.573 Base-Backbone interact. energy: 1.832 local terms energy: -60.981240 where: bonds (distance) C4'-P energy: -15.436 bonds (distance) P-C4' energy: -19.166 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -9.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -79.996150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.996150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.996150 (E_RNA) where: Base-Base interactions energy: -31.041 where: short stacking energy: -31.041 Base-Backbone interact. energy: 1.033 local terms energy: -49.988324 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -14.774 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -181.562919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.562919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.562919 (E_RNA) where: Base-Base interactions energy: -112.545 where: short stacking energy: -65.974 Base-Backbone interact. energy: -0.073 local terms energy: -68.945175 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -12.744 tors. eta vs tors. theta energy: -13.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -194.427618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.427618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.427618 (E_RNA) where: Base-Base interactions energy: -124.728 where: short stacking energy: -67.943 Base-Backbone interact. energy: -0.061 local terms energy: -69.639042 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -16.917 flat angles C4'-P-C4' energy: -15.566 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -15.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -175.889820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.889820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.889820 (E_RNA) where: Base-Base interactions energy: -104.590 where: short stacking energy: -61.562 Base-Backbone interact. energy: -0.010 local terms energy: -71.289216 where: bonds (distance) C4'-P energy: -15.005 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -18.622 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -14.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -175.086680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.086680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.086680 (E_RNA) where: Base-Base interactions energy: -106.735 where: short stacking energy: -58.711 Base-Backbone interact. energy: -0.216 local terms energy: -68.136196 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -14.371 tors. eta vs tors. theta energy: -11.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -168.114852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.114852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.114852 (E_RNA) where: Base-Base interactions energy: -104.784 where: short stacking energy: -59.877 Base-Backbone interact. energy: -0.137 local terms energy: -63.193594 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -13.711 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -12.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -164.154673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.154673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.154673 (E_RNA) where: Base-Base interactions energy: -101.396 where: short stacking energy: -61.034 Base-Backbone interact. energy: -0.037 local terms energy: -62.721624 where: bonds (distance) C4'-P energy: -8.556 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -14.803 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -17.167 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: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -150.365655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.365655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.365655 (E_RNA) where: Base-Base interactions energy: -91.235 where: short stacking energy: -51.850 Base-Backbone interact. energy: -0.097 local terms energy: -59.033535 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -11.818 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -10.591 tors. eta vs tors. theta energy: -13.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -99.618676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.618676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.618676 (E_RNA) where: Base-Base interactions energy: -38.464 where: short stacking energy: -27.057 Base-Backbone interact. energy: -0.105 local terms energy: -61.049483 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -15.030 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -5.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -82.130699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.130699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.130699 (E_RNA) where: Base-Base interactions energy: -34.342 where: short stacking energy: -30.790 Base-Backbone interact. energy: -0.294 local terms energy: -47.493935 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -9.745 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -76.843446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.843446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.843446 (E_RNA) where: Base-Base interactions energy: -33.314 where: short stacking energy: -32.571 Base-Backbone interact. energy: -0.048 local terms energy: -43.480997 where: bonds (distance) C4'-P energy: -15.030 bonds (distance) P-C4' energy: -11.627 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: 0.209 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -193.920240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.920240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.920240 (E_RNA) where: Base-Base interactions energy: -117.374 where: short stacking energy: -65.968 Base-Backbone interact. energy: -0.023 local terms energy: -76.523262 where: bonds (distance) C4'-P energy: -17.319 bonds (distance) P-C4' energy: -17.200 flat angles C4'-P-C4' energy: -16.287 flat angles P-C4'-P energy: -11.741 tors. eta vs tors. theta energy: -13.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -191.016484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.016484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.016484 (E_RNA) where: Base-Base interactions energy: -116.513 where: short stacking energy: -73.423 Base-Backbone interact. energy: -0.324 local terms energy: -74.180066 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -16.675 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -21.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -170.734289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.734289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.734289 (E_RNA) where: Base-Base interactions energy: -109.094 where: short stacking energy: -48.839 Base-Backbone interact. energy: -0.540 local terms energy: -61.101005 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -8.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -163.267143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.267143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.267143 (E_RNA) where: Base-Base interactions energy: -97.535 where: short stacking energy: -46.757 Base-Backbone interact. energy: -0.739 local terms energy: -64.993037 where: bonds (distance) C4'-P energy: -16.884 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -10.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -155.318192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.318192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.318192 (E_RNA) where: Base-Base interactions energy: -93.603 where: short stacking energy: -45.783 Base-Backbone interact. energy: -0.063 local terms energy: -61.652579 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -15.951 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -145.414395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.414395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.414395 (E_RNA) where: Base-Base interactions energy: -89.624 where: short stacking energy: -43.092 Base-Backbone interact. energy: 0.544 local terms energy: -56.334533 where: bonds (distance) C4'-P energy: -7.417 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -16.453 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -9.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -96.583108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.583108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.583108 (E_RNA) where: Base-Base interactions energy: -40.050 where: short stacking energy: -40.050 Base-Backbone interact. energy: 0.007 local terms energy: -56.540049 where: bonds (distance) C4'-P energy: -10.029 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -9.805 tors. eta vs tors. theta energy: -13.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -154.629124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.629124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.629124 (E_RNA) where: Base-Base interactions energy: -96.886 where: short stacking energy: -47.293 Base-Backbone interact. energy: -0.062 local terms energy: -57.681217 where: bonds (distance) C4'-P energy: -9.859 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -12.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -79.957488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.957488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.957488 (E_RNA) where: Base-Base interactions energy: -28.154 where: short stacking energy: -22.495 Base-Backbone interact. energy: -0.017 local terms energy: -51.785677 where: bonds (distance) C4'-P energy: -10.869 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: 0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -82.760273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.760273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.760273 (E_RNA) where: Base-Base interactions energy: -30.106 where: short stacking energy: -30.106 Base-Backbone interact. energy: -0.176 local terms energy: -52.477708 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -13.903 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -9.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -193.084208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.084208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.084208 (E_RNA) where: Base-Base interactions energy: -124.156 where: short stacking energy: -49.550 Base-Backbone interact. energy: -0.482 local terms energy: -68.446092 where: bonds (distance) C4'-P energy: -16.988 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -10.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -193.159448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.159448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.159448 (E_RNA) where: Base-Base interactions energy: -110.177 where: short stacking energy: -68.338 Base-Backbone interact. energy: -0.067 local terms energy: -82.915841 where: bonds (distance) C4'-P energy: -16.467 bonds (distance) P-C4' energy: -18.178 flat angles C4'-P-C4' energy: -18.921 flat angles P-C4'-P energy: -12.283 tors. eta vs tors. theta energy: -17.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -170.861468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.861468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.861468 (E_RNA) where: Base-Base interactions energy: -108.014 where: short stacking energy: -53.663 Base-Backbone interact. energy: -1.016 local terms energy: -61.831670 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -12.148 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -175.457568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.457568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.457568 (E_RNA) where: Base-Base interactions energy: -105.766 where: short stacking energy: -63.321 Base-Backbone interact. energy: -0.078 local terms energy: -69.613655 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -16.601 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -16.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -156.298204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.298204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.298204 (E_RNA) where: Base-Base interactions energy: -100.188 where: short stacking energy: -48.988 Base-Backbone interact. energy: -0.567 local terms energy: -55.542987 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -10.269 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: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -156.000338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.000338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.000338 (E_RNA) where: Base-Base interactions energy: -94.820 where: short stacking energy: -51.655 Base-Backbone interact. energy: -0.574 local terms energy: -60.606588 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -9.022 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: 213 Temperature: 1.200000 Total energy: -90.739121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.739121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.739121 (E_RNA) where: Base-Base interactions energy: -34.417 where: short stacking energy: -33.012 Base-Backbone interact. energy: -0.200 local terms energy: -56.122125 where: bonds (distance) C4'-P energy: -16.491 bonds (distance) P-C4' energy: -10.729 flat angles C4'-P-C4' energy: -14.432 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -91.284386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.284386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.284386 (E_RNA) where: Base-Base interactions energy: -39.128 where: short stacking energy: -35.867 Base-Backbone interact. energy: -0.088 local terms energy: -52.067950 where: bonds (distance) C4'-P energy: -15.229 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -7.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -136.998152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.998152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.998152 (E_RNA) where: Base-Base interactions energy: -92.418 where: short stacking energy: -49.587 Base-Backbone interact. energy: -0.212 local terms energy: -44.367819 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -10.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -72.385787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.385787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.385787 (E_RNA) where: Base-Base interactions energy: -28.486 where: short stacking energy: -26.849 Base-Backbone interact. energy: -0.285 local terms energy: -43.615191 where: bonds (distance) C4'-P energy: -10.140 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: 0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -199.039625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.039625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.039625 (E_RNA) where: Base-Base interactions energy: -116.170 where: short stacking energy: -74.159 Base-Backbone interact. energy: -0.117 local terms energy: -82.752110 where: bonds (distance) C4'-P energy: -14.144 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -17.112 flat angles P-C4'-P energy: -12.518 tors. eta vs tors. theta energy: -21.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -189.981053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.981053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.981053 (E_RNA) where: Base-Base interactions energy: -115.573 where: short stacking energy: -66.707 Base-Backbone interact. energy: -0.086 local terms energy: -74.322148 where: bonds (distance) C4'-P energy: -14.632 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -18.091 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -16.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -181.599511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.599511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.599511 (E_RNA) where: Base-Base interactions energy: -112.231 where: short stacking energy: -63.676 Base-Backbone interact. energy: -0.031 local terms energy: -69.337595 where: bonds (distance) C4'-P energy: -10.482 bonds (distance) P-C4' energy: -16.451 flat angles C4'-P-C4' energy: -12.619 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -20.676 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: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -167.245024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.245024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.245024 (E_RNA) where: Base-Base interactions energy: -107.761 where: short stacking energy: -58.094 Base-Backbone interact. energy: -0.005 local terms energy: -59.478772 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -10.543 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -13.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -165.105681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.105681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.105681 (E_RNA) where: Base-Base interactions energy: -103.591 where: short stacking energy: -56.265 Base-Backbone interact. energy: -0.319 local terms energy: -61.196008 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -9.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -178.784968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.784968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.784968 (E_RNA) where: Base-Base interactions energy: -111.446 where: short stacking energy: -50.507 Base-Backbone interact. energy: -0.087 local terms energy: -67.251789 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -12.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -92.365200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.365200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.365200 (E_RNA) where: Base-Base interactions energy: -39.894 where: short stacking energy: -32.600 Base-Backbone interact. energy: -0.287 local terms energy: -52.184291 where: bonds (distance) C4'-P energy: -9.718 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -7.836 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -84.536521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.536521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.536521 (E_RNA) where: Base-Base interactions energy: -33.041 where: short stacking energy: -33.041 Base-Backbone interact. energy: -0.022 local terms energy: -51.473865 where: bonds (distance) C4'-P energy: -7.752 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -16.927 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -141.697448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.697448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.697448 (E_RNA) where: Base-Base interactions energy: -82.188 where: short stacking energy: -39.249 Base-Backbone interact. energy: -0.021 local terms energy: -59.489027 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -16.821 flat angles C4'-P-C4' energy: -11.089 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -7.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -76.761334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.761334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.761334 (E_RNA) where: Base-Base interactions energy: -23.517 where: short stacking energy: -23.194 Base-Backbone interact. energy: -0.026 local terms energy: -53.217963 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -14.797 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -6.208 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: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -186.105102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.105102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.105102 (E_RNA) where: Base-Base interactions energy: -120.165 where: short stacking energy: -70.288 Base-Backbone interact. energy: 0.039 local terms energy: -65.978479 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -12.412 tors. eta vs tors. theta energy: -16.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -192.627246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.627246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.627246 (E_RNA) where: Base-Base interactions energy: -115.815 where: short stacking energy: -67.163 Base-Backbone interact. energy: -0.002 local terms energy: -76.810833 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -20.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -179.475959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.475959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.475959 (E_RNA) where: Base-Base interactions energy: -112.075 where: short stacking energy: -66.552 Base-Backbone interact. energy: -0.573 local terms energy: -66.828221 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -172.055636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.055636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.055636 (E_RNA) where: Base-Base interactions energy: -106.453 where: short stacking energy: -48.690 Base-Backbone interact. energy: -0.254 local terms energy: -65.348947 where: bonds (distance) C4'-P energy: -16.744 bonds (distance) P-C4' energy: -14.903 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -7.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -162.843334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.843334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.843334 (E_RNA) where: Base-Base interactions energy: -94.151 where: short stacking energy: -60.068 Base-Backbone interact. energy: -0.128 local terms energy: -68.564292 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -12.544 tors. eta vs tors. theta energy: -13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -157.539321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.539321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.539321 (E_RNA) where: Base-Base interactions energy: -98.333 where: short stacking energy: -59.380 Base-Backbone interact. energy: -0.025 local terms energy: -59.180898 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -8.299 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: -12.815 tors. eta vs tors. theta energy: -12.232 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: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -97.894408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.894408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.894408 (E_RNA) where: Base-Base interactions energy: -38.174 where: short stacking energy: -36.019 Base-Backbone interact. energy: -0.374 local terms energy: -59.346736 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -17.105 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -10.191 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: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -153.629357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.629357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.629357 (E_RNA) where: Base-Base interactions energy: -90.347 where: short stacking energy: -50.057 Base-Backbone interact. energy: -0.072 local terms energy: -63.210552 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -10.927 tors. eta vs tors. theta energy: -13.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -79.462054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.462054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.462054 (E_RNA) where: Base-Base interactions energy: -32.154 where: short stacking energy: -24.099 Base-Backbone interact. energy: -0.264 local terms energy: -47.044101 where: bonds (distance) C4'-P energy: -16.028 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: 1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -88.651852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.651852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.651852 (E_RNA) where: Base-Base interactions energy: -38.466 where: short stacking energy: -28.183 Base-Backbone interact. energy: -0.038 local terms energy: -50.147914 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -16.743 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -186.315554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.315554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.315554 (E_RNA) where: Base-Base interactions energy: -110.605 where: short stacking energy: -54.206 Base-Backbone interact. energy: -0.301 local terms energy: -75.408591 where: bonds (distance) C4'-P energy: -16.048 bonds (distance) P-C4' energy: -17.256 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -10.545 tors. eta vs tors. theta energy: -16.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -182.173194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.173194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.173194 (E_RNA) where: Base-Base interactions energy: -110.716 where: short stacking energy: -64.499 Base-Backbone interact. energy: 1.643 local terms energy: -73.100320 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -18.221 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -11.187 tors. eta vs tors. theta energy: -14.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -171.135391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.135391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.135391 (E_RNA) where: Base-Base interactions energy: -107.578 where: short stacking energy: -51.131 Base-Backbone interact. energy: -0.622 local terms energy: -62.935881 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -11.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -175.563421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.563421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.563421 (E_RNA) where: Base-Base interactions energy: -111.179 where: short stacking energy: -53.603 Base-Backbone interact. energy: -0.006 local terms energy: -64.377635 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -13.326 flat angles C4'-P-C4' energy: -11.948 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -161.361106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.361106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.361106 (E_RNA) where: Base-Base interactions energy: -97.482 where: short stacking energy: -49.053 Base-Backbone interact. energy: -0.102 local terms energy: -63.777508 where: bonds (distance) C4'-P energy: -16.752 bonds (distance) P-C4' energy: -15.245 flat angles C4'-P-C4' energy: -12.416 flat angles P-C4'-P energy: -9.933 tors. eta vs tors. theta energy: -9.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -161.227216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.227216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.227216 (E_RNA) where: Base-Base interactions energy: -97.490 where: short stacking energy: -57.027 Base-Backbone interact. energy: 1.981 local terms energy: -65.718244 where: bonds (distance) C4'-P energy: -11.393 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -18.256 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -14.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -146.890910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.890910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.890910 (E_RNA) where: Base-Base interactions energy: -93.240 where: short stacking energy: -48.174 Base-Backbone interact. energy: -0.286 local terms energy: -53.364550 where: bonds (distance) C4'-P energy: -7.517 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -85.646224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.646224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.646224 (E_RNA) where: Base-Base interactions energy: -29.295 where: short stacking energy: -25.020 Base-Backbone interact. energy: -0.005 local terms energy: -56.345562 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -12.425 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -84.917932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.917932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.917932 (E_RNA) where: Base-Base interactions energy: -34.167 where: short stacking energy: -34.167 Base-Backbone interact. energy: -0.135 local terms energy: -50.616343 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -1.873 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: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -78.432201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.432201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.432201 (E_RNA) where: Base-Base interactions energy: -29.824 where: short stacking energy: -17.632 Base-Backbone interact. energy: -0.037 local terms energy: -48.570799 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -9.741 flat angles C4'-P-C4' energy: -14.179 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -194.951639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.951639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.951639 (E_RNA) where: Base-Base interactions energy: -118.968 where: short stacking energy: -60.495 Base-Backbone interact. energy: -0.123 local terms energy: -75.860002 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -17.904 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -13.990 tors. eta vs tors. theta energy: -18.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -188.069168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.069168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.069168 (E_RNA) where: Base-Base interactions energy: -111.151 where: short stacking energy: -65.286 Base-Backbone interact. energy: -0.167 local terms energy: -76.750720 where: bonds (distance) C4'-P energy: -16.289 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -16.050 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -18.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -160.202650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.202650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.202650 (E_RNA) where: Base-Base interactions energy: -95.480 where: short stacking energy: -47.292 Base-Backbone interact. energy: -0.323 local terms energy: -64.399411 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -15.418 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -13.067 tors. eta vs tors. theta energy: -6.880 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -175.689576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.689576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.689576 (E_RNA) where: Base-Base interactions energy: -107.901 where: short stacking energy: -60.928 Base-Backbone interact. energy: -0.022 local terms energy: -67.766048 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -14.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -161.611588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.611588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.611588 (E_RNA) where: Base-Base interactions energy: -102.362 where: short stacking energy: -54.801 Base-Backbone interact. energy: -0.699 local terms energy: -58.550425 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -10.943 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -153.772178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.772178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.772178 (E_RNA) where: Base-Base interactions energy: -91.399 where: short stacking energy: -49.658 Base-Backbone interact. energy: -0.193 local terms energy: -62.180096 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: -12.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -147.815536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.815536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.815536 (E_RNA) where: Base-Base interactions energy: -82.531 where: short stacking energy: -41.562 Base-Backbone interact. energy: 0.548 local terms energy: -65.832955 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -15.751 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -12.016 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -114.121824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.121824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.121824 (E_RNA) where: Base-Base interactions energy: -52.621 where: short stacking energy: -42.956 Base-Backbone interact. energy: -0.022 local terms energy: -61.479492 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -8.975 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: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -87.016946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.016946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.016946 (E_RNA) where: Base-Base interactions energy: -28.844 where: short stacking energy: -28.821 Base-Backbone interact. energy: -0.232 local terms energy: -57.940620 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -7.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -90.224469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.224469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.224469 (E_RNA) where: Base-Base interactions energy: -29.254 where: short stacking energy: -26.616 Base-Backbone interact. energy: -0.020 local terms energy: -60.950703 where: bonds (distance) C4'-P energy: -15.809 bonds (distance) P-C4' energy: -17.866 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -5.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -200.565413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.565413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.565413 (E_RNA) where: Base-Base interactions energy: -115.662 where: short stacking energy: -70.482 Base-Backbone interact. energy: -0.043 local terms energy: -84.860492 where: bonds (distance) C4'-P energy: -16.616 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -19.064 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -20.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -175.140323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.140323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.140323 (E_RNA) where: Base-Base interactions energy: -110.519 where: short stacking energy: -46.083 Base-Backbone interact. energy: -1.324 local terms energy: -63.296962 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -14.115 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -182.472507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.472507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.472507 (E_RNA) where: Base-Base interactions energy: -113.540 where: short stacking energy: -54.576 Base-Backbone interact. energy: -0.281 local terms energy: -68.652200 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -15.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -188.496402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.496402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.496402 (E_RNA) where: Base-Base interactions energy: -114.467 where: short stacking energy: -64.863 Base-Backbone interact. energy: -0.229 local terms energy: -73.800414 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -16.737 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -17.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -174.071844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.071844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.071844 (E_RNA) where: Base-Base interactions energy: -106.972 where: short stacking energy: -50.074 Base-Backbone interact. energy: -0.101 local terms energy: -66.998327 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -15.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -160.927295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.927295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.927295 (E_RNA) where: Base-Base interactions energy: -97.754 where: short stacking energy: -45.040 Base-Backbone interact. energy: -0.127 local terms energy: -63.046428 where: bonds (distance) C4'-P energy: -15.473 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -10.979 tors. eta vs tors. theta energy: -8.172 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: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -111.316821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.316821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.316821 (E_RNA) where: Base-Base interactions energy: -48.076 where: short stacking energy: -41.833 Base-Backbone interact. energy: -0.744 local terms energy: -62.497056 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -13.823 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -11.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -148.072018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.072018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.072018 (E_RNA) where: Base-Base interactions energy: -88.247 where: short stacking energy: -47.842 Base-Backbone interact. energy: -0.083 local terms energy: -59.742139 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -9.845 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: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -89.705725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.705725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.705725 (E_RNA) where: Base-Base interactions energy: -45.188 where: short stacking energy: -34.227 Base-Backbone interact. energy: 0.557 local terms energy: -45.075034 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -79.147865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.147865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.147865 (E_RNA) where: Base-Base interactions energy: -40.670 where: short stacking energy: -29.139 Base-Backbone interact. energy: 1.340 local terms energy: -39.817882 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -1.806 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -200.334041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.334041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.334041 (E_RNA) where: Base-Base interactions energy: -118.374 where: short stacking energy: -69.843 Base-Backbone interact. energy: 0.621 local terms energy: -82.580686 where: bonds (distance) C4'-P energy: -16.904 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -17.364 flat angles P-C4'-P energy: -14.685 tors. eta vs tors. theta energy: -18.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -175.055850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.055850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.055850 (E_RNA) where: Base-Base interactions energy: -103.101 where: short stacking energy: -60.302 Base-Backbone interact. energy: -0.010 local terms energy: -71.945415 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -18.436 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -12.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -181.387088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.387088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.387088 (E_RNA) where: Base-Base interactions energy: -113.128 where: short stacking energy: -63.965 Base-Backbone interact. energy: -0.077 local terms energy: -68.182349 where: bonds (distance) C4'-P energy: -12.930 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -14.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -174.500724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.500724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.500724 (E_RNA) where: Base-Base interactions energy: -113.189 where: short stacking energy: -56.678 Base-Backbone interact. energy: -0.200 local terms energy: -61.112387 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -11.395 flat angles C4'-P-C4' energy: -17.640 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -12.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -162.953326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.953326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.953326 (E_RNA) where: Base-Base interactions energy: -98.713 where: short stacking energy: -49.301 Base-Backbone interact. energy: -0.112 local terms energy: -64.127623 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -16.547 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -10.305 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: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -142.552579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.552579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.552579 (E_RNA) where: Base-Base interactions energy: -89.523 where: short stacking energy: -43.050 Base-Backbone interact. energy: -0.877 local terms energy: -52.152553 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -12.878 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -104.432387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.432387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.432387 (E_RNA) where: Base-Base interactions energy: -46.327 where: short stacking energy: -40.364 Base-Backbone interact. energy: -0.027 local terms energy: -58.077950 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -17.259 flat angles P-C4'-P energy: -2.177 tors. eta vs tors. theta energy: -8.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -142.753160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.753160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.753160 (E_RNA) where: Base-Base interactions energy: -85.986 where: short stacking energy: -45.275 Base-Backbone interact. energy: -0.052 local terms energy: -56.715343 where: bonds (distance) C4'-P energy: -9.430 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -8.749 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: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -91.282434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.282434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.282434 (E_RNA) where: Base-Base interactions energy: -39.782 where: short stacking energy: -27.680 Base-Backbone interact. energy: -0.508 local terms energy: -50.992465 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -11.738 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -2.167 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: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -75.468451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.468451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.468451 (E_RNA) where: Base-Base interactions energy: -27.317 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.457 local terms energy: -47.693729 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -15.556 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -3.513 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: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -192.005375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.005375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.005375 (E_RNA) where: Base-Base interactions energy: -118.108 where: short stacking energy: -67.421 Base-Backbone interact. energy: -0.038 local terms energy: -73.858866 where: bonds (distance) C4'-P energy: -15.143 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -18.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -175.218708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.218708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.218708 (E_RNA) where: Base-Base interactions energy: -103.774 where: short stacking energy: -58.647 Base-Backbone interact. energy: -0.105 local terms energy: -71.340192 where: bonds (distance) C4'-P energy: -12.397 bonds (distance) P-C4' energy: -15.850 flat angles C4'-P-C4' energy: -15.749 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -17.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -185.713348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.713348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.713348 (E_RNA) where: Base-Base interactions energy: -108.335 where: short stacking energy: -66.244 Base-Backbone interact. energy: -0.047 local terms energy: -77.331600 where: bonds (distance) C4'-P energy: -17.204 bonds (distance) P-C4' energy: -15.667 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -18.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -160.750447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.750447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.750447 (E_RNA) where: Base-Base interactions energy: -98.786 where: short stacking energy: -48.656 Base-Backbone interact. energy: -0.549 local terms energy: -61.415271 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -11.204 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: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -168.874965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.874965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.874965 (E_RNA) where: Base-Base interactions energy: -102.234 where: short stacking energy: -59.676 Base-Backbone interact. energy: -0.021 local terms energy: -66.619190 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -16.044 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -15.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -168.724981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.724981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.724981 (E_RNA) where: Base-Base interactions energy: -106.466 where: short stacking energy: -61.738 Base-Backbone interact. energy: 0.756 local terms energy: -63.015401 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -15.523 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: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -150.351810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.351810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.351810 (E_RNA) where: Base-Base interactions energy: -96.272 where: short stacking energy: -43.680 Base-Backbone interact. energy: -0.241 local terms energy: -53.839027 where: bonds (distance) C4'-P energy: -7.247 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -12.422 flat angles P-C4'-P energy: -12.847 tors. eta vs tors. theta energy: -8.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -80.714217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.714217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.714217 (E_RNA) where: Base-Base interactions energy: -41.084 where: short stacking energy: -38.866 Base-Backbone interact. energy: -0.002 local terms energy: -39.627650 where: bonds (distance) C4'-P energy: -8.683 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -7.445 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: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -91.591746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.591746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.591746 (E_RNA) where: Base-Base interactions energy: -41.719 where: short stacking energy: -30.253 Base-Backbone interact. energy: -0.212 local terms energy: -49.660518 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -78.678601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.678601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.678601 (E_RNA) where: Base-Base interactions energy: -33.168 where: short stacking energy: -16.937 Base-Backbone interact. energy: -0.568 local terms energy: -44.942265 where: bonds (distance) C4'-P energy: -13.245 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -7.361 tors. eta vs tors. theta energy: -3.053 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: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -188.204656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.204656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.204656 (E_RNA) where: Base-Base interactions energy: -115.965 where: short stacking energy: -69.962 Base-Backbone interact. energy: -0.154 local terms energy: -72.086243 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -19.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -174.216959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.216959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.216959 (E_RNA) where: Base-Base interactions energy: -107.865 where: short stacking energy: -64.894 Base-Backbone interact. energy: -0.090 local terms energy: -66.262602 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -15.806 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: -12.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -169.916098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.916098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.916098 (E_RNA) where: Base-Base interactions energy: -103.993 where: short stacking energy: -61.950 Base-Backbone interact. energy: -0.359 local terms energy: -65.564413 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -16.668 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -13.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -169.461906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.461906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.461906 (E_RNA) where: Base-Base interactions energy: -104.249 where: short stacking energy: -53.428 Base-Backbone interact. energy: -0.040 local terms energy: -65.172845 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -13.779 flat angles C4'-P-C4' energy: -16.656 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -14.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -153.958818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.958818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.958818 (E_RNA) where: Base-Base interactions energy: -95.762 where: short stacking energy: -48.889 Base-Backbone interact. energy: -0.293 local terms energy: -57.903654 where: bonds (distance) C4'-P energy: -14.827 bonds (distance) P-C4' energy: -16.476 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -148.822071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.822071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.822071 (E_RNA) where: Base-Base interactions energy: -94.396 where: short stacking energy: -42.502 Base-Backbone interact. energy: -0.158 local terms energy: -54.268009 where: bonds (distance) C4'-P energy: -16.573 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -151.008894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.008894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.008894 (E_RNA) where: Base-Base interactions energy: -98.605 where: short stacking energy: -40.588 Base-Backbone interact. energy: -0.074 local terms energy: -52.330133 where: bonds (distance) C4'-P energy: -11.167 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -7.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -102.987973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.987973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.987973 (E_RNA) where: Base-Base interactions energy: -42.872 where: short stacking energy: -42.206 Base-Backbone interact. energy: -0.193 local terms energy: -59.923574 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -11.034 tors. eta vs tors. theta energy: -10.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -81.644130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.644130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.644130 (E_RNA) where: Base-Base interactions energy: -30.032 where: short stacking energy: -27.990 Base-Backbone interact. energy: -0.188 local terms energy: -51.424150 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -15.965 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -73.951201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.951201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.951201 (E_RNA) where: Base-Base interactions energy: -30.021 where: short stacking energy: -17.467 Base-Backbone interact. energy: -0.077 local terms energy: -43.853460 where: bonds (distance) C4'-P energy: -16.190 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -182.368805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.368805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.368805 (E_RNA) where: Base-Base interactions energy: -107.445 where: short stacking energy: -56.507 Base-Backbone interact. energy: -0.402 local terms energy: -74.521570 where: bonds (distance) C4'-P energy: -15.494 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -16.349 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -16.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -196.337668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.337668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.337668 (E_RNA) where: Base-Base interactions energy: -115.913 where: short stacking energy: -70.487 Base-Backbone interact. energy: -0.024 local terms energy: -80.400764 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -16.216 flat angles P-C4'-P energy: -14.017 tors. eta vs tors. theta energy: -21.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -172.616770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.616770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.616770 (E_RNA) where: Base-Base interactions energy: -102.215 where: short stacking energy: -58.533 Base-Backbone interact. energy: -0.108 local terms energy: -70.294232 where: bonds (distance) C4'-P energy: -16.033 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -14.324 tors. eta vs tors. theta energy: -11.956 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: 4, replica: 8 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -172.009155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.009155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.009155 (E_RNA) where: Base-Base interactions energy: -98.778 where: short stacking energy: -56.265 Base-Backbone interact. energy: -0.010 local terms energy: -73.220240 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -13.348 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -146.761322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.761322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.761322 (E_RNA) where: Base-Base interactions energy: -85.971 where: short stacking energy: -46.670 Base-Backbone interact. energy: -0.691 local terms energy: -60.099798 where: bonds (distance) C4'-P energy: -15.092 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -7.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -153.357719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.357719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.357719 (E_RNA) where: Base-Base interactions energy: -88.877 where: short stacking energy: -39.273 Base-Backbone interact. energy: -0.091 local terms energy: -64.388937 where: bonds (distance) C4'-P energy: -15.245 bonds (distance) P-C4' energy: -16.315 flat angles C4'-P-C4' energy: -16.701 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -6.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -95.170993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.170993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.170993 (E_RNA) where: Base-Base interactions energy: -44.419 where: short stacking energy: -41.332 Base-Backbone interact. energy: 0.398 local terms energy: -51.150060 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -12.238 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -158.598049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.598049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.598049 (E_RNA) where: Base-Base interactions energy: -91.645 where: short stacking energy: -50.880 Base-Backbone interact. energy: 0.288 local terms energy: -67.241334 where: bonds (distance) C4'-P energy: -16.039 bonds (distance) P-C4' energy: -10.356 flat angles C4'-P-C4' energy: -13.223 flat angles P-C4'-P energy: -12.658 tors. eta vs tors. theta energy: -14.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -83.362868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.362868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.362868 (E_RNA) where: Base-Base interactions energy: -28.400 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.189 local terms energy: -54.774464 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -14.122 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -86.298597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.298597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.298597 (E_RNA) where: Base-Base interactions energy: -41.908 where: short stacking energy: -29.869 Base-Backbone interact. energy: -0.134 local terms energy: -44.256877 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -16.841 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -181.677037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.677037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.677037 (E_RNA) where: Base-Base interactions energy: -113.987 where: short stacking energy: -56.680 Base-Backbone interact. energy: 0.060 local terms energy: -67.750251 where: bonds (distance) C4'-P energy: -16.579 bonds (distance) P-C4' energy: -16.105 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -6.691 tors. eta vs tors. theta energy: -15.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -177.309920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.309920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.309920 (E_RNA) where: Base-Base interactions energy: -107.379 where: short stacking energy: -63.423 Base-Backbone interact. energy: -0.333 local terms energy: -69.597645 where: bonds (distance) C4'-P energy: -15.850 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -16.425 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -13.752 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: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -204.280401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.280401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.280401 (E_RNA) where: Base-Base interactions energy: -135.379 where: short stacking energy: -64.943 Base-Backbone interact. energy: -0.068 local terms energy: -68.832822 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -20.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -176.885944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.885944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.885944 (E_RNA) where: Base-Base interactions energy: -110.382 where: short stacking energy: -55.721 Base-Backbone interact. energy: -0.349 local terms energy: -66.154602 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -18.637 flat angles C4'-P-C4' energy: -17.276 flat angles P-C4'-P energy: -9.663 tors. eta vs tors. theta energy: -10.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -173.096813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.096813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.096813 (E_RNA) where: Base-Base interactions energy: -101.060 where: short stacking energy: -58.857 Base-Backbone interact. energy: -0.109 local terms energy: -71.928653 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -15.637 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -15.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -164.788217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.788217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.788217 (E_RNA) where: Base-Base interactions energy: -101.439 where: short stacking energy: -49.782 Base-Backbone interact. energy: -0.033 local terms energy: -63.316743 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -10.735 tors. eta vs tors. theta energy: -12.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -90.295610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.295610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.295610 (E_RNA) where: Base-Base interactions energy: -37.669 where: short stacking energy: -34.025 Base-Backbone interact. energy: -0.217 local terms energy: -52.410286 where: bonds (distance) C4'-P energy: -16.310 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -4.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -143.972494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.972494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.972494 (E_RNA) where: Base-Base interactions energy: -86.789 where: short stacking energy: -45.172 Base-Backbone interact. energy: -0.463 local terms energy: -56.720891 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -12.929 tors. eta vs tors. theta energy: -8.259 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: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -89.382005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.382005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.382005 (E_RNA) where: Base-Base interactions energy: -31.044 where: short stacking energy: -29.698 Base-Backbone interact. energy: 0.171 local terms energy: -58.508670 where: bonds (distance) C4'-P energy: -15.979 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -14.130 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -77.416360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.416360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.416360 (E_RNA) where: Base-Base interactions energy: -30.829 where: short stacking energy: -27.023 Base-Backbone interact. energy: 1.190 local terms energy: -47.777452 where: bonds (distance) C4'-P energy: -15.792 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -192.468027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.468027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.468027 (E_RNA) where: Base-Base interactions energy: -122.293 where: short stacking energy: -60.887 Base-Backbone interact. energy: -0.024 local terms energy: -70.151364 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -15.147 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: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -187.110126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.110126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.110126 (E_RNA) where: Base-Base interactions energy: -115.097 where: short stacking energy: -67.451 Base-Backbone interact. energy: -0.011 local terms energy: -72.002810 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -16.136 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -19.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -202.753321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.753321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.753321 (E_RNA) where: Base-Base interactions energy: -129.072 where: short stacking energy: -61.592 Base-Backbone interact. energy: -0.098 local terms energy: -73.583496 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -15.037 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -19.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -170.606993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.606993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.606993 (E_RNA) where: Base-Base interactions energy: -107.733 where: short stacking energy: -52.464 Base-Backbone interact. energy: -0.231 local terms energy: -62.642980 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -16.835 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -174.033619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.033619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.033619 (E_RNA) where: Base-Base interactions energy: -106.291 where: short stacking energy: -58.213 Base-Backbone interact. energy: -0.179 local terms energy: -67.563755 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -15.615 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -162.399286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.399286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.399286 (E_RNA) where: Base-Base interactions energy: -97.570 where: short stacking energy: -51.587 Base-Backbone interact. energy: -0.724 local terms energy: -64.104605 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -16.092 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -13.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -148.331049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.331049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.331049 (E_RNA) where: Base-Base interactions energy: -94.565 where: short stacking energy: -47.939 Base-Backbone interact. energy: -0.172 local terms energy: -53.593359 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: -6.254 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: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -96.879677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.879677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.879677 (E_RNA) where: Base-Base interactions energy: -39.731 where: short stacking energy: -34.012 Base-Backbone interact. energy: -0.168 local terms energy: -56.979857 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -11.287 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -114.806580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.806580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.806580 (E_RNA) where: Base-Base interactions energy: -48.808 where: short stacking energy: -48.212 Base-Backbone interact. energy: -0.103 local terms energy: -65.895451 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -10.386 tors. eta vs tors. theta energy: -14.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -91.465174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.465174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.465174 (E_RNA) where: Base-Base interactions energy: -39.942 where: short stacking energy: -39.876 Base-Backbone interact. energy: -0.051 local terms energy: -51.472709 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -11.313 flat angles C4'-P-C4' energy: -11.356 flat angles P-C4'-P energy: -8.708 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -188.450029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.450029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.450029 (E_RNA) where: Base-Base interactions energy: -110.059 where: short stacking energy: -67.298 Base-Backbone interact. energy: -0.019 local terms energy: -78.371868 where: bonds (distance) C4'-P energy: -16.902 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -18.154 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -22.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -202.353100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.353100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.353100 (E_RNA) where: Base-Base interactions energy: -133.518 where: short stacking energy: -64.492 Base-Backbone interact. energy: -0.054 local terms energy: -68.780771 where: bonds (distance) C4'-P energy: -13.850 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -17.968 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -15.126 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: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -192.098492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.098492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.098492 (E_RNA) where: Base-Base interactions energy: -117.887 where: short stacking energy: -69.249 Base-Backbone interact. energy: -0.032 local terms energy: -74.179742 where: bonds (distance) C4'-P energy: -13.892 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -12.632 flat angles P-C4'-P energy: -12.800 tors. eta vs tors. theta energy: -19.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -169.614812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.614812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.614812 (E_RNA) where: Base-Base interactions energy: -105.522 where: short stacking energy: -51.310 Base-Backbone interact. energy: -0.117 local terms energy: -63.975554 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -14.617 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -167.352011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.352011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.352011 (E_RNA) where: Base-Base interactions energy: -105.563 where: short stacking energy: -54.232 Base-Backbone interact. energy: -0.029 local terms energy: -61.760027 where: bonds (distance) C4'-P energy: -10.595 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -13.516 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: 6, replica: 10 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -156.394199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.394199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.394199 (E_RNA) where: Base-Base interactions energy: -101.059 where: short stacking energy: -59.689 Base-Backbone interact. energy: -0.188 local terms energy: -55.146769 where: bonds (distance) C4'-P energy: -4.031 bonds (distance) P-C4' energy: -14.394 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -13.079 tors. eta vs tors. theta energy: -10.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -148.287326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.287326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.287326 (E_RNA) where: Base-Base interactions energy: -94.175 where: short stacking energy: -40.897 Base-Backbone interact. energy: -1.182 local terms energy: -52.930256 where: bonds (distance) C4'-P energy: -9.034 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -7.683 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: 3 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -101.492690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.492690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.492690 (E_RNA) where: Base-Base interactions energy: -48.361 where: short stacking energy: -27.233 Base-Backbone interact. energy: -0.034 local terms energy: -53.097736 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -6.836 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -76.408395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.408395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.408395 (E_RNA) where: Base-Base interactions energy: -27.165 where: short stacking energy: -26.684 Base-Backbone interact. energy: -0.148 local terms energy: -49.095408 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -17.883 flat angles C4'-P-C4' energy: -9.479 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -74.036076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.036076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.036076 (E_RNA) where: Base-Base interactions energy: -30.329 where: short stacking energy: -29.497 Base-Backbone interact. energy: -0.032 local terms energy: -43.674876 where: bonds (distance) C4'-P energy: -10.588 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -10.478 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -194.866263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.866263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.866263 (E_RNA) where: Base-Base interactions energy: -121.941 where: short stacking energy: -66.751 Base-Backbone interact. energy: -0.247 local terms energy: -72.678441 where: bonds (distance) C4'-P energy: -15.589 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -16.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -177.831467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.831467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.831467 (E_RNA) where: Base-Base interactions energy: -109.866 where: short stacking energy: -57.863 Base-Backbone interact. energy: -0.092 local terms energy: -67.874182 where: bonds (distance) C4'-P energy: -15.824 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -9.963 tors. eta vs tors. theta energy: -12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -169.390402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.390402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.390402 (E_RNA) where: Base-Base interactions energy: -98.523 where: short stacking energy: -47.722 Base-Backbone interact. energy: -0.303 local terms energy: -70.564247 where: bonds (distance) C4'-P energy: -16.110 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -11.016 tors. eta vs tors. theta energy: -11.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -176.152938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.152938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.152938 (E_RNA) where: Base-Base interactions energy: -106.825 where: short stacking energy: -62.776 Base-Backbone interact. energy: 1.023 local terms energy: -70.351037 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -16.823 flat angles C4'-P-C4' energy: -13.813 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -19.112 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: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -179.259851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.259851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.259851 (E_RNA) where: Base-Base interactions energy: -115.010 where: short stacking energy: -72.422 Base-Backbone interact. energy: 2.222 local terms energy: -66.471323 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -162.640423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.640423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.640423 (E_RNA) where: Base-Base interactions energy: -99.023 where: short stacking energy: -54.313 Base-Backbone interact. energy: -0.398 local terms energy: -63.219655 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -10.081 tors. eta vs tors. theta energy: -15.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -109.978433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.978433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.978433 (E_RNA) where: Base-Base interactions energy: -55.903 where: short stacking energy: -37.200 Base-Backbone interact. energy: 0.475 local terms energy: -54.550081 where: bonds (distance) C4'-P energy: -10.733 bonds (distance) P-C4' energy: -17.849 flat angles C4'-P-C4' energy: -11.363 flat angles P-C4'-P energy: -7.941 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -140.779680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.779680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.779680 (E_RNA) where: Base-Base interactions energy: -92.128 where: short stacking energy: -49.063 Base-Backbone interact. energy: 0.509 local terms energy: -49.161127 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -10.457 flat angles C4'-P-C4' energy: -10.875 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -11.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -85.770183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.770183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.770183 (E_RNA) where: Base-Base interactions energy: -35.950 where: short stacking energy: -35.123 Base-Backbone interact. energy: -0.047 local terms energy: -49.773325 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -8.230 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -84.933762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.933762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.933762 (E_RNA) where: Base-Base interactions energy: -33.847 where: short stacking energy: -33.847 Base-Backbone interact. energy: -0.006 local terms energy: -51.080278 where: bonds (distance) C4'-P energy: -14.505 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -5.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -189.788906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.788906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.788906 (E_RNA) where: Base-Base interactions energy: -120.716 where: short stacking energy: -56.018 Base-Backbone interact. energy: -0.590 local terms energy: -68.482770 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -14.238 flat angles C4'-P-C4' energy: -16.905 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -16.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -187.165988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.165988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.165988 (E_RNA) where: Base-Base interactions energy: -119.935 where: short stacking energy: -53.967 Base-Backbone interact. energy: -0.094 local terms energy: -67.136911 where: bonds (distance) C4'-P energy: -14.943 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -15.628 flat angles P-C4'-P energy: -13.199 tors. eta vs tors. theta energy: -11.234 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: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -182.997856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.997856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.997856 (E_RNA) where: Base-Base interactions energy: -111.305 where: short stacking energy: -68.490 Base-Backbone interact. energy: 0.427 local terms energy: -72.119891 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -175.103714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.103714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.103714 (E_RNA) where: Base-Base interactions energy: -109.286 where: short stacking energy: -64.446 Base-Backbone interact. energy: -0.080 local terms energy: -65.736886 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -15.854 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: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -165.738099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.738099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.738099 (E_RNA) where: Base-Base interactions energy: -99.013 where: short stacking energy: -52.309 Base-Backbone interact. energy: -0.299 local terms energy: -66.426212 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -11.093 tors. eta vs tors. theta energy: -11.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -153.571310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.571310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.571310 (E_RNA) where: Base-Base interactions energy: -101.528 where: short stacking energy: -55.555 Base-Backbone interact. energy: 2.217 local terms energy: -54.260610 where: bonds (distance) C4'-P energy: -10.770 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -9.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -132.133491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.133491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.133491 (E_RNA) where: Base-Base interactions energy: -82.151 where: short stacking energy: -42.469 Base-Backbone interact. energy: -0.480 local terms energy: -49.503196 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -11.523 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -146.982897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.982897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.982897 (E_RNA) where: Base-Base interactions energy: -84.048 where: short stacking energy: -37.260 Base-Backbone interact. energy: -0.079 local terms energy: -62.856094 where: bonds (distance) C4'-P energy: -17.096 bonds (distance) P-C4' energy: -15.385 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -8.477 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: 6 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -78.771397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.771397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.771397 (E_RNA) where: Base-Base interactions energy: -29.766 where: short stacking energy: -27.167 Base-Backbone interact. energy: -0.183 local terms energy: -48.821809 where: bonds (distance) C4'-P energy: -15.998 bonds (distance) P-C4' energy: -16.558 flat angles C4'-P-C4' energy: -9.167 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: 0.498 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: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -91.279155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.279155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.279155 (E_RNA) where: Base-Base interactions energy: -30.997 where: short stacking energy: -29.231 Base-Backbone interact. energy: -0.065 local terms energy: -60.217615 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -17.942 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -8.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -191.570303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.570303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.570303 (E_RNA) where: Base-Base interactions energy: -120.226 where: short stacking energy: -66.662 Base-Backbone interact. energy: -0.021 local terms energy: -71.323129 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -18.612 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -14.376 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: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -165.395053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.395053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.395053 (E_RNA) where: Base-Base interactions energy: -96.981 where: short stacking energy: -55.852 Base-Backbone interact. energy: 0.078 local terms energy: -68.492582 where: bonds (distance) C4'-P energy: -16.778 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -15.667 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -12.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -190.895430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.895430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.895430 (E_RNA) where: Base-Base interactions energy: -119.157 where: short stacking energy: -59.206 Base-Backbone interact. energy: -0.728 local terms energy: -71.010293 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -14.919 flat angles C4'-P-C4' energy: -15.390 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -18.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -168.556021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.556021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.556021 (E_RNA) where: Base-Base interactions energy: -102.488 where: short stacking energy: -62.658 Base-Backbone interact. energy: -0.803 local terms energy: -65.265237 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -18.178 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -12.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -160.871604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.871604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.871604 (E_RNA) where: Base-Base interactions energy: -95.518 where: short stacking energy: -53.055 Base-Backbone interact. energy: 0.038 local terms energy: -65.391136 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -15.149 flat angles C4'-P-C4' energy: -17.747 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -11.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -151.795964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.795964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.795964 (E_RNA) where: Base-Base interactions energy: -94.889 where: short stacking energy: -52.398 Base-Backbone interact. energy: 0.295 local terms energy: -57.201771 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -146.605721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.605721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.605721 (E_RNA) where: Base-Base interactions energy: -89.503 where: short stacking energy: -43.579 Base-Backbone interact. energy: -0.517 local terms energy: -56.585821 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -7.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -144.868746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.868746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.868746 (E_RNA) where: Base-Base interactions energy: -95.335 where: short stacking energy: -43.116 Base-Backbone interact. energy: -0.192 local terms energy: -49.341753 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -11.063 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -5.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -80.297654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.297654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.297654 (E_RNA) where: Base-Base interactions energy: -40.074 where: short stacking energy: -24.790 Base-Backbone interact. energy: -1.059 local terms energy: -39.164150 where: bonds (distance) C4'-P energy: -17.398 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -8.230 tors. eta vs tors. theta energy: 7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -81.106768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.106768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.106768 (E_RNA) where: Base-Base interactions energy: -26.345 where: short stacking energy: -26.345 Base-Backbone interact. energy: -0.107 local terms energy: -54.654187 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -15.168 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -7.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -189.510299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.510299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.510299 (E_RNA) where: Base-Base interactions energy: -115.014 where: short stacking energy: -72.102 Base-Backbone interact. energy: -0.444 local terms energy: -74.052487 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -15.688 flat angles C4'-P-C4' energy: -15.546 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -20.427 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: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -188.466666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.466666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.466666 (E_RNA) where: Base-Base interactions energy: -127.562 where: short stacking energy: -50.482 Base-Backbone interact. energy: -0.108 local terms energy: -60.797087 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -9.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -178.495519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.495519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.495519 (E_RNA) where: Base-Base interactions energy: -109.913 where: short stacking energy: -57.617 Base-Backbone interact. energy: -0.162 local terms energy: -68.420451 where: bonds (distance) C4'-P energy: -14.836 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -12.702 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: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -172.692074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.692074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.692074 (E_RNA) where: Base-Base interactions energy: -104.891 where: short stacking energy: -63.806 Base-Backbone interact. energy: -0.112 local terms energy: -67.688205 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -162.219144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.219144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.219144 (E_RNA) where: Base-Base interactions energy: -103.804 where: short stacking energy: -53.660 Base-Backbone interact. energy: -0.100 local terms energy: -58.314881 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -7.193 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: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -145.456442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.456442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.456442 (E_RNA) where: Base-Base interactions energy: -88.005 where: short stacking energy: -47.741 Base-Backbone interact. energy: -0.100 local terms energy: -57.351361 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -10.788 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -151.802088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.802088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.802088 (E_RNA) where: Base-Base interactions energy: -92.461 where: short stacking energy: -47.521 Base-Backbone interact. energy: -0.325 local terms energy: -59.016348 where: bonds (distance) C4'-P energy: -8.998 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -10.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -113.150529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.150529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.150529 (E_RNA) where: Base-Base interactions energy: -64.848 where: short stacking energy: -36.985 Base-Backbone interact. energy: -0.205 local terms energy: -48.096762 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -9.772 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -3.622 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: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -91.129431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.129431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.129431 (E_RNA) where: Base-Base interactions energy: -41.898 where: short stacking energy: -41.398 Base-Backbone interact. energy: 0.035 local terms energy: -49.265872 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -76.018693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.018693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.018693 (E_RNA) where: Base-Base interactions energy: -24.367 where: short stacking energy: -23.431 Base-Backbone interact. energy: -0.098 local terms energy: -51.553448 where: bonds (distance) C4'-P energy: -16.935 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -6.827 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -196.896767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.896767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.896767 (E_RNA) where: Base-Base interactions energy: -120.161 where: short stacking energy: -74.948 Base-Backbone interact. energy: -0.003 local terms energy: -76.732828 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -15.839 flat angles C4'-P-C4' energy: -17.832 flat angles P-C4'-P energy: -12.763 tors. eta vs tors. theta energy: -17.646 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: 230 Temperature: 0.950000 Total energy: -187.269859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.269859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.269859 (E_RNA) where: Base-Base interactions energy: -112.999 where: short stacking energy: -65.837 Base-Backbone interact. energy: -0.424 local terms energy: -73.847160 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -18.599 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -14.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -169.373682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.373682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.373682 (E_RNA) where: Base-Base interactions energy: -106.066 where: short stacking energy: -54.737 Base-Backbone interact. energy: -0.171 local terms energy: -63.137226 where: bonds (distance) C4'-P energy: -11.033 bonds (distance) P-C4' energy: -17.206 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -9.933 tors. eta vs tors. theta energy: -12.292 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: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -177.187318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.187318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.187318 (E_RNA) where: Base-Base interactions energy: -110.030 where: short stacking energy: -63.644 Base-Backbone interact. energy: 0.056 local terms energy: -67.214073 where: bonds (distance) C4'-P energy: -16.445 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -16.369 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -15.540 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: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -156.129719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.129719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.129719 (E_RNA) where: Base-Base interactions energy: -101.247 where: short stacking energy: -47.221 Base-Backbone interact. energy: -0.372 local terms energy: -54.511378 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -15.646 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -9.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -150.551271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.551271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.551271 (E_RNA) where: Base-Base interactions energy: -89.852 where: short stacking energy: -46.531 Base-Backbone interact. energy: -0.562 local terms energy: -60.137508 where: bonds (distance) C4'-P energy: -13.895 bonds (distance) P-C4' energy: -17.665 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -12.861 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: 230 Temperature: 1.200000 Total energy: -146.887792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.887792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.887792 (E_RNA) where: Base-Base interactions energy: -86.639 where: short stacking energy: -48.499 Base-Backbone interact. energy: -0.045 local terms energy: -60.204539 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -88.506733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.506733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.506733 (E_RNA) where: Base-Base interactions energy: -41.715 where: short stacking energy: -40.753 Base-Backbone interact. energy: -0.013 local terms energy: -46.779040 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -9.509 tors. eta vs tors. theta energy: -8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -80.331036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.331036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.331036 (E_RNA) where: Base-Base interactions energy: -42.818 where: short stacking energy: -35.004 Base-Backbone interact. energy: -0.294 local terms energy: -37.219359 where: bonds (distance) C4'-P energy: -10.625 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -1.167 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: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -78.997538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.997538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.997538 (E_RNA) where: Base-Base interactions energy: -30.130 where: short stacking energy: -29.983 Base-Backbone interact. energy: -0.025 local terms energy: -48.843434 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -14.726 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -195.973574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.973574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.973574 (E_RNA) where: Base-Base interactions energy: -122.491 where: short stacking energy: -71.169 Base-Backbone interact. energy: -0.012 local terms energy: -73.470499 where: bonds (distance) C4'-P energy: -12.828 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -17.288 flat angles P-C4'-P energy: -11.031 tors. eta vs tors. theta energy: -16.628 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: 231 Temperature: 0.950000 Total energy: -193.491800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.491800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.491800 (E_RNA) where: Base-Base interactions energy: -121.299 where: short stacking energy: -59.842 Base-Backbone interact. energy: -0.180 local terms energy: -72.012356 where: bonds (distance) C4'-P energy: -15.025 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -12.770 tors. eta vs tors. theta energy: -13.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -169.282470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.282470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.282470 (E_RNA) where: Base-Base interactions energy: -103.899 where: short stacking energy: -58.216 Base-Backbone interact. energy: 0.049 local terms energy: -65.432132 where: bonds (distance) C4'-P energy: -10.140 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -12.080 tors. eta vs tors. theta energy: -15.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -165.504811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.504811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.504811 (E_RNA) where: Base-Base interactions energy: -101.394 where: short stacking energy: -45.849 Base-Backbone interact. energy: -0.875 local terms energy: -63.235523 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -15.457 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -10.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -167.752320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.752320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.752320 (E_RNA) where: Base-Base interactions energy: -107.440 where: short stacking energy: -48.989 Base-Backbone interact. energy: -0.308 local terms energy: -60.004283 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -9.695 tors. eta vs tors. theta energy: -9.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -163.168952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.168952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.168952 (E_RNA) where: Base-Base interactions energy: -96.751 where: short stacking energy: -46.264 Base-Backbone interact. energy: -0.221 local terms energy: -66.196718 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -12.415 tors. eta vs tors. theta energy: -12.098 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: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -154.414582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.414582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.414582 (E_RNA) where: Base-Base interactions energy: -99.444 where: short stacking energy: -51.252 Base-Backbone interact. energy: -0.052 local terms energy: -54.918782 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -7.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -90.660469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.660469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.660469 (E_RNA) where: Base-Base interactions energy: -35.919 where: short stacking energy: -35.688 Base-Backbone interact. energy: -0.142 local terms energy: -54.599377 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -11.357 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -76.243001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.243001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.243001 (E_RNA) where: Base-Base interactions energy: -28.360 where: short stacking energy: -28.360 Base-Backbone interact. energy: -0.054 local terms energy: -47.828724 where: bonds (distance) C4'-P energy: -6.158 bonds (distance) P-C4' energy: -16.970 flat angles C4'-P-C4' energy: -10.483 flat angles P-C4'-P energy: -12.380 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -83.882225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.882225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.882225 (E_RNA) where: Base-Base interactions energy: -38.250 where: short stacking energy: -32.889 Base-Backbone interact. energy: -0.004 local terms energy: -45.628327 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -193.193135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.193135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.193135 (E_RNA) where: Base-Base interactions energy: -120.067 where: short stacking energy: -72.876 Base-Backbone interact. energy: -0.059 local terms energy: -73.067427 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -15.851 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -11.397 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -185.119356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.119356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.119356 (E_RNA) where: Base-Base interactions energy: -120.486 where: short stacking energy: -64.354 Base-Backbone interact. energy: -0.027 local terms energy: -64.605691 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -15.191 flat angles C4'-P-C4' energy: -16.890 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -11.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -173.744419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.744419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.744419 (E_RNA) where: Base-Base interactions energy: -102.741 where: short stacking energy: -55.524 Base-Backbone interact. energy: 1.769 local terms energy: -72.772891 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -15.235 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -12.761 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -183.111226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.111226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.111226 (E_RNA) where: Base-Base interactions energy: -111.396 where: short stacking energy: -66.453 Base-Backbone interact. energy: -0.011 local terms energy: -71.703464 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -16.128 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -161.923271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.923271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.923271 (E_RNA) where: Base-Base interactions energy: -100.335 where: short stacking energy: -57.674 Base-Backbone interact. energy: -0.175 local terms energy: -61.413336 where: bonds (distance) C4'-P energy: -15.613 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -10.692 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: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -157.056746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.056746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.056746 (E_RNA) where: Base-Base interactions energy: -96.977 where: short stacking energy: -47.578 Base-Backbone interact. energy: 1.036 local terms energy: -61.115673 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -11.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -149.854802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.854802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.854802 (E_RNA) where: Base-Base interactions energy: -98.061 where: short stacking energy: -41.092 Base-Backbone interact. energy: 1.801 local terms energy: -53.594876 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -17.878 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -99.501564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.501564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.501564 (E_RNA) where: Base-Base interactions energy: -44.121 where: short stacking energy: -44.121 Base-Backbone interact. energy: -0.003 local terms energy: -55.377743 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -8.747 flat angles C4'-P-C4' energy: -10.995 flat angles P-C4'-P energy: -9.161 tors. eta vs tors. theta energy: -14.491 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -87.454735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.454735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.454735 (E_RNA) where: Base-Base interactions energy: -32.594 where: short stacking energy: -32.016 Base-Backbone interact. energy: -0.689 local terms energy: -54.171760 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -9.383 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -9.167 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: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -77.267191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.267191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.267191 (E_RNA) where: Base-Base interactions energy: -33.957 where: short stacking energy: -32.240 Base-Backbone interact. energy: -0.214 local terms energy: -43.096338 where: bonds (distance) C4'-P energy: -10.579 bonds (distance) P-C4' energy: -11.678 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -188.472854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.472854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.472854 (E_RNA) where: Base-Base interactions energy: -109.143 where: short stacking energy: -60.765 Base-Backbone interact. energy: -0.010 local terms energy: -79.319838 where: bonds (distance) C4'-P energy: -15.804 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -18.127 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -18.508 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: 2, replica: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -174.860858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.860858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.860858 (E_RNA) where: Base-Base interactions energy: -104.147 where: short stacking energy: -56.237 Base-Backbone interact. energy: -0.003 local terms energy: -70.710075 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -17.374 flat angles C4'-P-C4' energy: -14.105 flat angles P-C4'-P energy: -13.141 tors. eta vs tors. theta energy: -11.781 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: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -172.149205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.149205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.149205 (E_RNA) where: Base-Base interactions energy: -104.203 where: short stacking energy: -63.530 Base-Backbone interact. energy: -0.883 local terms energy: -67.063212 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -15.927 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -13.859 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: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -177.474201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.474201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.474201 (E_RNA) where: Base-Base interactions energy: -120.596 where: short stacking energy: -48.885 Base-Backbone interact. energy: -0.006 local terms energy: -56.872500 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -16.177 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -4.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -175.145424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.145424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.145424 (E_RNA) where: Base-Base interactions energy: -112.146 where: short stacking energy: -55.200 Base-Backbone interact. energy: 1.079 local terms energy: -64.078698 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -11.574 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: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -161.173813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.173813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.173813 (E_RNA) where: Base-Base interactions energy: -98.263 where: short stacking energy: -46.854 Base-Backbone interact. energy: -0.206 local terms energy: -62.705246 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -12.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -146.584513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.584513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.584513 (E_RNA) where: Base-Base interactions energy: -94.752 where: short stacking energy: -54.344 Base-Backbone interact. energy: -0.222 local terms energy: -51.610294 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -15.271 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -9.105 tors. eta vs tors. theta energy: -10.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -91.775894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.775894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.775894 (E_RNA) where: Base-Base interactions energy: -31.399 where: short stacking energy: -28.071 Base-Backbone interact. energy: -0.085 local terms energy: -60.291907 where: bonds (distance) C4'-P energy: -13.899 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -16.536 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -5.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -89.868989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.868989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.868989 (E_RNA) where: Base-Base interactions energy: -38.450 where: short stacking energy: -37.066 Base-Backbone interact. energy: -0.589 local terms energy: -50.829910 where: bonds (distance) C4'-P energy: -13.262 bonds (distance) P-C4' energy: -15.921 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -10.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -83.072393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.072393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.072393 (E_RNA) where: Base-Base interactions energy: -27.804 where: short stacking energy: -27.168 Base-Backbone interact. energy: -0.814 local terms energy: -54.454339 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -14.934 flat angles C4'-P-C4' energy: -15.841 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: 0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -184.032249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.032249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.032249 (E_RNA) where: Base-Base interactions energy: -111.439 where: short stacking energy: -65.095 Base-Backbone interact. energy: -0.004 local terms energy: -72.588527 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -18.411 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -9.813 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -167.959126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.959126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.959126 (E_RNA) where: Base-Base interactions energy: -102.717 where: short stacking energy: -56.551 Base-Backbone interact. energy: -0.762 local terms energy: -64.479990 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -17.181 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -9.965 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: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -172.589916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.589916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.589916 (E_RNA) where: Base-Base interactions energy: -108.859 where: short stacking energy: -51.217 Base-Backbone interact. energy: -0.118 local terms energy: -63.613534 where: bonds (distance) C4'-P energy: -15.414 bonds (distance) P-C4' energy: -11.289 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -12.069 tors. eta vs tors. theta energy: -11.173 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: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -168.508158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.508158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.508158 (E_RNA) where: Base-Base interactions energy: -103.247 where: short stacking energy: -50.788 Base-Backbone interact. energy: -0.134 local terms energy: -65.127453 where: bonds (distance) C4'-P energy: -10.951 bonds (distance) P-C4' energy: -17.957 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -11.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -175.896339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.896339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.896339 (E_RNA) where: Base-Base interactions energy: -106.199 where: short stacking energy: -61.711 Base-Backbone interact. energy: -0.046 local terms energy: -69.651100 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -15.314 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -13.146 tors. eta vs tors. theta energy: -15.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -165.469734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.469734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.469734 (E_RNA) where: Base-Base interactions energy: -98.414 where: short stacking energy: -52.382 Base-Backbone interact. energy: -0.195 local terms energy: -66.861280 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -17.529 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -95.487962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.487962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.487962 (E_RNA) where: Base-Base interactions energy: -41.131 where: short stacking energy: -39.430 Base-Backbone interact. energy: -0.046 local terms energy: -54.310610 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -9.348 tors. eta vs tors. theta energy: -7.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -137.019726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.019726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.019726 (E_RNA) where: Base-Base interactions energy: -83.871 where: short stacking energy: -39.022 Base-Backbone interact. energy: -0.335 local terms energy: -52.813967 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -101.354226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.354226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.354226 (E_RNA) where: Base-Base interactions energy: -49.835 where: short stacking energy: -28.027 Base-Backbone interact. energy: -0.180 local terms energy: -51.338994 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -87.113838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.113838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.113838 (E_RNA) where: Base-Base interactions energy: -33.461 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.080 local terms energy: -53.572733 where: bonds (distance) C4'-P energy: -7.883 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -16.418 flat angles P-C4'-P energy: -11.302 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -187.290104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.290104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.290104 (E_RNA) where: Base-Base interactions energy: -114.175 where: short stacking energy: -69.820 Base-Backbone interact. energy: -0.001 local terms energy: -73.114184 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -16.477 flat angles C4'-P-C4' energy: -17.351 flat angles P-C4'-P energy: -11.514 tors. eta vs tors. theta energy: -13.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -186.713697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.713697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.713697 (E_RNA) where: Base-Base interactions energy: -122.711 where: short stacking energy: -55.173 Base-Backbone interact. energy: -0.818 local terms energy: -63.184276 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -9.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -185.459540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.459540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.459540 (E_RNA) where: Base-Base interactions energy: -109.224 where: short stacking energy: -61.428 Base-Backbone interact. energy: 0.406 local terms energy: -76.641125 where: bonds (distance) C4'-P energy: -14.166 bonds (distance) P-C4' energy: -17.534 flat angles C4'-P-C4' energy: -15.976 flat angles P-C4'-P energy: -13.181 tors. eta vs tors. theta energy: -15.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -162.364371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.364371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.364371 (E_RNA) where: Base-Base interactions energy: -92.304 where: short stacking energy: -46.113 Base-Backbone interact. energy: -0.009 local terms energy: -70.051486 where: bonds (distance) C4'-P energy: -16.388 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -10.729 tors. eta vs tors. theta energy: -12.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -170.330988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.330988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.330988 (E_RNA) where: Base-Base interactions energy: -99.005 where: short stacking energy: -58.867 Base-Backbone interact. energy: -0.220 local terms energy: -71.105882 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -18.697 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -16.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -151.796031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.796031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.796031 (E_RNA) where: Base-Base interactions energy: -88.490 where: short stacking energy: -45.754 Base-Backbone interact. energy: -0.107 local terms energy: -63.199097 where: bonds (distance) C4'-P energy: -13.796 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -9.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -101.008507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.008507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.008507 (E_RNA) where: Base-Base interactions energy: -42.990 where: short stacking energy: -42.990 Base-Backbone interact. energy: -0.069 local terms energy: -57.949256 where: bonds (distance) C4'-P energy: -15.406 bonds (distance) P-C4' energy: -18.010 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -144.815914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.815914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.815914 (E_RNA) where: Base-Base interactions energy: -82.917 where: short stacking energy: -36.661 Base-Backbone interact. energy: 0.130 local terms energy: -62.029064 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: -8.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -91.105295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.105295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.105295 (E_RNA) where: Base-Base interactions energy: -41.023 where: short stacking energy: -32.534 Base-Backbone interact. energy: -0.351 local terms energy: -49.731624 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -79.835510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.835510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.835510 (E_RNA) where: Base-Base interactions energy: -28.774 where: short stacking energy: -21.718 Base-Backbone interact. energy: -0.119 local terms energy: -50.942144 where: bonds (distance) C4'-P energy: -16.875 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -0.798 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: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -191.843902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.843902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.843902 (E_RNA) where: Base-Base interactions energy: -124.904 where: short stacking energy: -56.379 Base-Backbone interact. energy: -0.717 local terms energy: -66.222282 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -11.782 tors. eta vs tors. theta energy: -11.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -184.788218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.788218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.788218 (E_RNA) where: Base-Base interactions energy: -111.798 where: short stacking energy: -67.447 Base-Backbone interact. energy: -0.001 local terms energy: -72.989690 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -13.894 flat angles C4'-P-C4' energy: -17.199 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -175.384328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.384328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.384328 (E_RNA) where: Base-Base interactions energy: -110.490 where: short stacking energy: -44.554 Base-Backbone interact. energy: -0.601 local terms energy: -64.292970 where: bonds (distance) C4'-P energy: -15.072 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -17.319 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -165.997599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.997599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.997599 (E_RNA) where: Base-Base interactions energy: -105.112 where: short stacking energy: -37.112 Base-Backbone interact. energy: -0.192 local terms energy: -60.693687 where: bonds (distance) C4'-P energy: -14.649 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -15.138 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -5.279 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: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -156.576765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.576765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.576765 (E_RNA) where: Base-Base interactions energy: -93.867 where: short stacking energy: -40.161 Base-Backbone interact. energy: -0.332 local terms energy: -62.378098 where: bonds (distance) C4'-P energy: -14.600 bonds (distance) P-C4' energy: -14.770 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -10.524 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: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -152.239334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.239334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.239334 (E_RNA) where: Base-Base interactions energy: -88.542 where: short stacking energy: -43.760 Base-Backbone interact. energy: -0.025 local terms energy: -63.672560 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -15.568 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -10.534 tors. eta vs tors. theta energy: -11.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -161.661617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.661617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.661617 (E_RNA) where: Base-Base interactions energy: -99.218 where: short stacking energy: -54.486 Base-Backbone interact. energy: -0.139 local terms energy: -62.304660 where: bonds (distance) C4'-P energy: -15.829 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -13.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -93.941529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.941529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.941529 (E_RNA) where: Base-Base interactions energy: -36.910 where: short stacking energy: -36.910 Base-Backbone interact. energy: -0.101 local terms energy: -56.930163 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -12.078 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -90.509781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.509781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.509781 (E_RNA) where: Base-Base interactions energy: -43.044 where: short stacking energy: -36.081 Base-Backbone interact. energy: -0.161 local terms energy: -47.305172 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -73.125609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.125609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.125609 (E_RNA) where: Base-Base interactions energy: -32.681 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.357 local terms energy: -40.087381 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -11.381 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: 2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -182.770900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.770900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.770900 (E_RNA) where: Base-Base interactions energy: -114.640 where: short stacking energy: -46.639 Base-Backbone interact. energy: -0.463 local terms energy: -67.667177 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -16.448 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -11.788 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: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -180.898952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.898952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.898952 (E_RNA) where: Base-Base interactions energy: -110.135 where: short stacking energy: -71.504 Base-Backbone interact. energy: -0.012 local terms energy: -70.751474 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -17.274 flat angles C4'-P-C4' energy: -10.444 flat angles P-C4'-P energy: -12.228 tors. eta vs tors. theta energy: -16.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -169.218225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.218225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.218225 (E_RNA) where: Base-Base interactions energy: -107.248 where: short stacking energy: -41.931 Base-Backbone interact. energy: -0.272 local terms energy: -61.697971 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -12.914 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -6.445 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: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -171.402405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.402405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.402405 (E_RNA) where: Base-Base interactions energy: -108.392 where: short stacking energy: -49.755 Base-Backbone interact. energy: 0.223 local terms energy: -63.233524 where: bonds (distance) C4'-P energy: -16.069 bonds (distance) P-C4' energy: -15.458 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -12.510 tors. eta vs tors. theta energy: -11.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -158.329655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.329655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.329655 (E_RNA) where: Base-Base interactions energy: -96.595 where: short stacking energy: -52.557 Base-Backbone interact. energy: -0.133 local terms energy: -61.601470 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -14.962 flat angles P-C4'-P energy: -11.603 tors. eta vs tors. theta energy: -7.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -163.259473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.259473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.259473 (E_RNA) where: Base-Base interactions energy: -96.221 where: short stacking energy: -51.887 Base-Backbone interact. energy: -0.001 local terms energy: -67.037071 where: bonds (distance) C4'-P energy: -15.337 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -13.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -148.286506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.286506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.286506 (E_RNA) where: Base-Base interactions energy: -86.849 where: short stacking energy: -44.189 Base-Backbone interact. energy: 0.821 local terms energy: -62.257921 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -17.485 flat angles C4'-P-C4' energy: -14.562 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -9.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -102.195929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.195929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.195929 (E_RNA) where: Base-Base interactions energy: -41.814 where: short stacking energy: -34.282 Base-Backbone interact. energy: -0.287 local terms energy: -60.095031 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -16.638 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -79.404061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.404061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.404061 (E_RNA) where: Base-Base interactions energy: -32.048 where: short stacking energy: -32.048 Base-Backbone interact. energy: -0.136 local terms energy: -47.220589 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -76.547698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.547698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.547698 (E_RNA) where: Base-Base interactions energy: -26.105 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.043 local terms energy: -50.400006 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -1.962 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: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -187.305747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.305747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.305747 (E_RNA) where: Base-Base interactions energy: -116.034 where: short stacking energy: -71.041 Base-Backbone interact. energy: -0.006 local terms energy: -71.266031 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -12.991 tors. eta vs tors. theta energy: -16.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -201.909081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.909081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.909081 (E_RNA) where: Base-Base interactions energy: -139.218 where: short stacking energy: -51.715 Base-Backbone interact. energy: -0.903 local terms energy: -61.787673 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -14.562 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -7.475 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: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -162.889069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.889069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.889069 (E_RNA) where: Base-Base interactions energy: -104.195 where: short stacking energy: -42.882 Base-Backbone interact. energy: -0.139 local terms energy: -58.555176 where: bonds (distance) C4'-P energy: -16.004 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -15.545 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -164.686911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.686911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.686911 (E_RNA) where: Base-Base interactions energy: -100.342 where: short stacking energy: -58.470 Base-Backbone interact. energy: -0.001 local terms energy: -64.343766 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -7.808 tors. eta vs tors. theta energy: -15.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -160.028724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.028724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.028724 (E_RNA) where: Base-Base interactions energy: -96.191 where: short stacking energy: -59.967 Base-Backbone interact. energy: -0.004 local terms energy: -63.833796 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -14.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -152.086364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.086364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.086364 (E_RNA) where: Base-Base interactions energy: -92.689 where: short stacking energy: -49.399 Base-Backbone interact. energy: -0.033 local terms energy: -59.363975 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -14.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -142.876562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.876562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.876562 (E_RNA) where: Base-Base interactions energy: -84.352 where: short stacking energy: -41.025 Base-Backbone interact. energy: -0.057 local terms energy: -58.467676 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -9.557 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -15.336 tors. eta vs tors. theta energy: -7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -83.588450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.588450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.588450 (E_RNA) where: Base-Base interactions energy: -31.118 where: short stacking energy: -27.759 Base-Backbone interact. energy: -0.563 local terms energy: -51.907018 where: bonds (distance) C4'-P energy: -16.395 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -92.169108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.169108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.169108 (E_RNA) where: Base-Base interactions energy: -42.464 where: short stacking energy: -27.839 Base-Backbone interact. energy: -0.056 local terms energy: -49.649323 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -12.191 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -85.727847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.727847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.727847 (E_RNA) where: Base-Base interactions energy: -30.086 where: short stacking energy: -30.086 Base-Backbone interact. energy: -0.095 local terms energy: -55.546715 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -10.955 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -188.533930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.533930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.533930 (E_RNA) where: Base-Base interactions energy: -120.103 where: short stacking energy: -66.506 Base-Backbone interact. energy: -0.071 local terms energy: -68.359640 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -17.269 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -12.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -201.228093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.228093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.228093 (E_RNA) where: Base-Base interactions energy: -139.430 where: short stacking energy: -53.967 Base-Backbone interact. energy: -0.260 local terms energy: -61.538370 where: bonds (distance) C4'-P energy: -15.700 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -162.263820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.263820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.263820 (E_RNA) where: Base-Base interactions energy: -101.885 where: short stacking energy: -41.709 Base-Backbone interact. energy: -1.229 local terms energy: -59.149154 where: bonds (distance) C4'-P energy: -16.263 bonds (distance) P-C4' energy: -14.538 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -160.764554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.764554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.764554 (E_RNA) where: Base-Base interactions energy: -94.495 where: short stacking energy: -50.923 Base-Backbone interact. energy: -0.072 local terms energy: -66.197488 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -11.281 tors. eta vs tors. theta energy: -10.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -151.165258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.165258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.165258 (E_RNA) where: Base-Base interactions energy: -92.695 where: short stacking energy: -53.617 Base-Backbone interact. energy: -0.052 local terms energy: -58.417642 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -11.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -172.800306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.800306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.800306 (E_RNA) where: Base-Base interactions energy: -105.645 where: short stacking energy: -51.730 Base-Backbone interact. energy: 0.982 local terms energy: -68.137274 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -15.317 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -13.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -171.845263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.845263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.845263 (E_RNA) where: Base-Base interactions energy: -115.203 where: short stacking energy: -40.651 Base-Backbone interact. energy: -0.172 local terms energy: -56.470384 where: bonds (distance) C4'-P energy: -16.997 bonds (distance) P-C4' energy: -8.304 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -7.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -78.251615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.251615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.251615 (E_RNA) where: Base-Base interactions energy: -30.889 where: short stacking energy: -21.271 Base-Backbone interact. energy: -0.878 local terms energy: -46.484831 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -13.504 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: 3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -75.879571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.879571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.879571 (E_RNA) where: Base-Base interactions energy: -29.856 where: short stacking energy: -25.920 Base-Backbone interact. energy: 1.260 local terms energy: -47.283738 where: bonds (distance) C4'-P energy: -14.768 bonds (distance) P-C4' energy: -15.898 flat angles C4'-P-C4' energy: -10.125 flat angles P-C4'-P energy: -7.723 tors. eta vs tors. theta energy: 1.230 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: 239 Temperature: 1.350000 Total energy: -86.726283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.726283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.726283 (E_RNA) where: Base-Base interactions energy: -38.238 where: short stacking energy: -36.403 Base-Backbone interact. energy: -0.004 local terms energy: -48.485072 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -14.450 flat angles C4'-P-C4' energy: -9.941 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -211.937934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.937934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.937934 (E_RNA) where: Base-Base interactions energy: -145.026 where: short stacking energy: -67.075 Base-Backbone interact. energy: 0.297 local terms energy: -67.209364 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -16.113 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -15.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -180.813146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.813146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.813146 (E_RNA) where: Base-Base interactions energy: -122.924 where: short stacking energy: -53.355 Base-Backbone interact. energy: 0.663 local terms energy: -58.552343 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -9.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -175.104817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.104817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.104817 (E_RNA) where: Base-Base interactions energy: -103.647 where: short stacking energy: -56.672 Base-Backbone interact. energy: -0.012 local terms energy: -71.445609 where: bonds (distance) C4'-P energy: -15.648 bonds (distance) P-C4' energy: -15.434 flat angles C4'-P-C4' energy: -12.315 flat angles P-C4'-P energy: -12.763 tors. eta vs tors. theta energy: -15.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -169.757493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.757493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.757493 (E_RNA) where: Base-Base interactions energy: -105.197 where: short stacking energy: -56.182 Base-Backbone interact. energy: -0.490 local terms energy: -64.071229 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -163.365302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.365302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.365302 (E_RNA) where: Base-Base interactions energy: -99.565 where: short stacking energy: -59.134 Base-Backbone interact. energy: -0.046 local terms energy: -63.754107 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -8.900 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -12.926 tors. eta vs tors. theta energy: -14.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -173.741007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.741007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.741007 (E_RNA) where: Base-Base interactions energy: -103.674 where: short stacking energy: -59.109 Base-Backbone interact. energy: -0.024 local terms energy: -70.042745 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -17.473 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -16.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -161.300950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.300950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.300950 (E_RNA) where: Base-Base interactions energy: -100.592 where: short stacking energy: -54.814 Base-Backbone interact. energy: -0.621 local terms energy: -60.087409 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -11.577 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: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -106.366942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.366942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.366942 (E_RNA) where: Base-Base interactions energy: -50.641 where: short stacking energy: -50.571 Base-Backbone interact. energy: -0.346 local terms energy: -55.379131 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -10.341 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -12.554 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: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -86.068907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.068907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.068907 (E_RNA) where: Base-Base interactions energy: -33.870 where: short stacking energy: -33.870 Base-Backbone interact. energy: -0.131 local terms energy: -52.067970 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -17.925 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -8.385 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: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -81.123417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.123417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.123417 (E_RNA) where: Base-Base interactions energy: -36.049 where: short stacking energy: -22.300 Base-Backbone interact. energy: -0.150 local terms energy: -44.924160 where: bonds (distance) C4'-P energy: -14.861 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -10.856 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -216.497363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.497363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.497363 (E_RNA) where: Base-Base interactions energy: -142.290 where: short stacking energy: -74.140 Base-Backbone interact. energy: 2.470 local terms energy: -76.677931 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -15.165 flat angles C4'-P-C4' energy: -18.754 flat angles P-C4'-P energy: -12.405 tors. eta vs tors. theta energy: -15.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -196.894884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.894884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.894884 (E_RNA) where: Base-Base interactions energy: -122.639 where: short stacking energy: -67.037 Base-Backbone interact. energy: -0.056 local terms energy: -74.200084 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -16.873 flat angles C4'-P-C4' energy: -15.925 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -177.557906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.557906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.557906 (E_RNA) where: Base-Base interactions energy: -107.988 where: short stacking energy: -61.469 Base-Backbone interact. energy: -0.044 local terms energy: -69.526676 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -19.125 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: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -177.844405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.844405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.844405 (E_RNA) where: Base-Base interactions energy: -104.968 where: short stacking energy: -60.025 Base-Backbone interact. energy: -0.177 local terms energy: -72.699173 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -18.172 flat angles P-C4'-P energy: -11.294 tors. eta vs tors. theta energy: -16.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -159.616982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.616982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.616982 (E_RNA) where: Base-Base interactions energy: -95.483 where: short stacking energy: -58.288 Base-Backbone interact. energy: 0.009 local terms energy: -64.142777 where: bonds (distance) C4'-P energy: -16.554 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -13.616 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -163.926147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.926147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.926147 (E_RNA) where: Base-Base interactions energy: -97.418 where: short stacking energy: -52.780 Base-Backbone interact. energy: -0.057 local terms energy: -66.451735 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -13.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -152.397065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.397065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.397065 (E_RNA) where: Base-Base interactions energy: -93.367 where: short stacking energy: -42.243 Base-Backbone interact. energy: -1.138 local terms energy: -57.892212 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -16.161 flat angles C4'-P-C4' energy: -10.199 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -9.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -87.998969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.998969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.998969 (E_RNA) where: Base-Base interactions energy: -40.669 where: short stacking energy: -21.178 Base-Backbone interact. energy: -0.060 local terms energy: -47.269789 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: 0.283 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: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -94.895804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.895804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.895804 (E_RNA) where: Base-Base interactions energy: -49.064 where: short stacking energy: -43.393 Base-Backbone interact. energy: -0.632 local terms energy: -45.199420 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -11.031 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -8.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -83.481570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.481570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.481570 (E_RNA) where: Base-Base interactions energy: -29.341 where: short stacking energy: -29.341 Base-Backbone interact. energy: -0.126 local terms energy: -54.015127 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -6.772 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -13.126 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -216.531237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.531237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.531237 (E_RNA) where: Base-Base interactions energy: -140.732 where: short stacking energy: -70.956 Base-Backbone interact. energy: -0.099 local terms energy: -75.699902 where: bonds (distance) C4'-P energy: -17.407 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -208.610810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.610810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.610810 (E_RNA) where: Base-Base interactions energy: -136.458 where: short stacking energy: -61.474 Base-Backbone interact. energy: -0.025 local terms energy: -72.127677 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -16.040 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -170.316190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.316190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.316190 (E_RNA) where: Base-Base interactions energy: -107.732 where: short stacking energy: -52.882 Base-Backbone interact. energy: 0.289 local terms energy: -62.873279 where: bonds (distance) C4'-P energy: -10.741 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -16.485 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -14.264 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: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -169.646737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.646737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.646737 (E_RNA) where: Base-Base interactions energy: -99.236 where: short stacking energy: -61.148 Base-Backbone interact. energy: -0.342 local terms energy: -70.068294 where: bonds (distance) C4'-P energy: -16.600 bonds (distance) P-C4' energy: -17.274 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -14.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -164.502596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.502596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.502596 (E_RNA) where: Base-Base interactions energy: -103.236 where: short stacking energy: -46.308 Base-Backbone interact. energy: -0.274 local terms energy: -60.992722 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -14.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -163.225827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.225827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.225827 (E_RNA) where: Base-Base interactions energy: -96.638 where: short stacking energy: -48.970 Base-Backbone interact. energy: -0.018 local terms energy: -66.569578 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -16.005 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -13.982 tors. eta vs tors. theta energy: -7.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -163.597737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.597737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.597737 (E_RNA) where: Base-Base interactions energy: -99.144 where: short stacking energy: -57.710 Base-Backbone interact. energy: -0.084 local terms energy: -64.370493 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -15.619 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -16.989 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: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -83.512559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.512559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.512559 (E_RNA) where: Base-Base interactions energy: -34.484 where: short stacking energy: -26.257 Base-Backbone interact. energy: -0.161 local terms energy: -48.867778 where: bonds (distance) C4'-P energy: -10.720 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -98.962573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.962573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.962573 (E_RNA) where: Base-Base interactions energy: -48.033 where: short stacking energy: -33.085 Base-Backbone interact. energy: -0.391 local terms energy: -50.538715 where: bonds (distance) C4'-P energy: -14.691 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -7.494 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: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -81.128179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.128179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.128179 (E_RNA) where: Base-Base interactions energy: -30.681 where: short stacking energy: -30.681 Base-Backbone interact. energy: -0.109 local terms energy: -50.337930 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -16.475 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -209.866392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.866392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.866392 (E_RNA) where: Base-Base interactions energy: -141.651 where: short stacking energy: -73.287 Base-Backbone interact. energy: 0.250 local terms energy: -68.465375 where: bonds (distance) C4'-P energy: -16.148 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -16.130 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -14.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -194.446333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.446333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.446333 (E_RNA) where: Base-Base interactions energy: -118.132 where: short stacking energy: -74.873 Base-Backbone interact. energy: -0.033 local terms energy: -76.281262 where: bonds (distance) C4'-P energy: -16.637 bonds (distance) P-C4' energy: -14.133 flat angles C4'-P-C4' energy: -14.964 flat angles P-C4'-P energy: -10.585 tors. eta vs tors. theta energy: -19.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -185.197626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.197626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.197626 (E_RNA) where: Base-Base interactions energy: -114.052 where: short stacking energy: -60.023 Base-Backbone interact. energy: -0.122 local terms energy: -71.023637 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -17.491 flat angles C4'-P-C4' energy: -16.983 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -12.883 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: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -171.185876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.185876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.185876 (E_RNA) where: Base-Base interactions energy: -112.628 where: short stacking energy: -40.378 Base-Backbone interact. energy: -0.415 local terms energy: -58.143705 where: bonds (distance) C4'-P energy: -14.541 bonds (distance) P-C4' energy: -15.615 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -161.793253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.793253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.793253 (E_RNA) where: Base-Base interactions energy: -98.860 where: short stacking energy: -55.293 Base-Backbone interact. energy: -0.351 local terms energy: -62.582360 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -16.728 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -15.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -163.094394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.094394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.094394 (E_RNA) where: Base-Base interactions energy: -102.116 where: short stacking energy: -59.680 Base-Backbone interact. energy: 0.560 local terms energy: -61.538296 where: bonds (distance) C4'-P energy: -10.302 bonds (distance) P-C4' energy: -16.753 flat angles C4'-P-C4' energy: -14.167 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -14.277 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: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -154.288695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.288695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.288695 (E_RNA) where: Base-Base interactions energy: -94.629 where: short stacking energy: -46.139 Base-Backbone interact. energy: -0.037 local terms energy: -59.623164 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -10.474 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -12.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -84.876436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.876436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.876436 (E_RNA) where: Base-Base interactions energy: -31.591 where: short stacking energy: -31.591 Base-Backbone interact. energy: -0.031 local terms energy: -53.254490 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -10.978 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -77.558954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.558954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.558954 (E_RNA) where: Base-Base interactions energy: -25.877 where: short stacking energy: -22.048 Base-Backbone interact. energy: -0.783 local terms energy: -50.899123 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -17.034 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -1.455 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: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -82.507514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.507514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.507514 (E_RNA) where: Base-Base interactions energy: -34.417 where: short stacking energy: -26.433 Base-Backbone interact. energy: -0.372 local terms energy: -47.718332 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -15.950 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -210.233814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.233814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.233814 (E_RNA) where: Base-Base interactions energy: -135.701 where: short stacking energy: -61.385 Base-Backbone interact. energy: -0.101 local terms energy: -74.431892 where: bonds (distance) C4'-P energy: -15.515 bonds (distance) P-C4' energy: -16.768 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -196.735709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.735709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.735709 (E_RNA) where: Base-Base interactions energy: -123.143 where: short stacking energy: -65.611 Base-Backbone interact. energy: -0.179 local terms energy: -73.413947 where: bonds (distance) C4'-P energy: -11.949 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -16.753 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -17.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -170.535654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.535654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.535654 (E_RNA) where: Base-Base interactions energy: -107.800 where: short stacking energy: -45.517 Base-Backbone interact. energy: -0.182 local terms energy: -62.553822 where: bonds (distance) C4'-P energy: -15.511 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -10.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -189.365554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.365554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.365554 (E_RNA) where: Base-Base interactions energy: -123.602 where: short stacking energy: -50.083 Base-Backbone interact. energy: -0.006 local terms energy: -65.757085 where: bonds (distance) C4'-P energy: -11.109 bonds (distance) P-C4' energy: -16.873 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -11.128 tors. eta vs tors. theta energy: -11.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -163.313594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.313594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.313594 (E_RNA) where: Base-Base interactions energy: -100.680 where: short stacking energy: -55.772 Base-Backbone interact. energy: -0.109 local terms energy: -62.524605 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -11.414 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: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -164.222106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.222106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.222106 (E_RNA) where: Base-Base interactions energy: -93.733 where: short stacking energy: -53.790 Base-Backbone interact. energy: -0.065 local terms energy: -70.424033 where: bonds (distance) C4'-P energy: -16.955 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -157.893539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.893539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.893539 (E_RNA) where: Base-Base interactions energy: -89.614 where: short stacking energy: -48.769 Base-Backbone interact. energy: -0.280 local terms energy: -67.998878 where: bonds (distance) C4'-P energy: -15.850 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -11.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -94.598770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.598770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.598770 (E_RNA) where: Base-Base interactions energy: -36.971 where: short stacking energy: -36.489 Base-Backbone interact. energy: -0.152 local terms energy: -57.475543 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -14.978 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -83.398993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.398993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.398993 (E_RNA) where: Base-Base interactions energy: -29.244 where: short stacking energy: -27.175 Base-Backbone interact. energy: -0.019 local terms energy: -54.135808 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -75.150955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.150955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.150955 (E_RNA) where: Base-Base interactions energy: -27.938 where: short stacking energy: -25.675 Base-Backbone interact. energy: -0.213 local terms energy: -46.999517 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -9.105 flat angles C4'-P-C4' energy: -16.347 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -208.061105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.061105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.061105 (E_RNA) where: Base-Base interactions energy: -138.615 where: short stacking energy: -65.799 Base-Backbone interact. energy: -0.144 local terms energy: -69.302879 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -15.200 flat angles P-C4'-P energy: -11.321 tors. eta vs tors. theta energy: -12.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -183.607680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.607680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.607680 (E_RNA) where: Base-Base interactions energy: -112.272 where: short stacking energy: -57.510 Base-Backbone interact. energy: -0.071 local terms energy: -71.264804 where: bonds (distance) C4'-P energy: -15.966 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -16.220 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -182.823242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.823242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.823242 (E_RNA) where: Base-Base interactions energy: -109.447 where: short stacking energy: -51.179 Base-Backbone interact. energy: -0.395 local terms energy: -72.981185 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -17.063 flat angles C4'-P-C4' energy: -16.504 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -184.449401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.449401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.449401 (E_RNA) where: Base-Base interactions energy: -120.886 where: short stacking energy: -50.319 Base-Backbone interact. energy: 1.404 local terms energy: -64.966673 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -10.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -163.125166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.125166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.125166 (E_RNA) where: Base-Base interactions energy: -98.444 where: short stacking energy: -53.935 Base-Backbone interact. energy: -0.472 local terms energy: -64.209116 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -12.105 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: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -154.570674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.570674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.570674 (E_RNA) where: Base-Base interactions energy: -93.204 where: short stacking energy: -48.203 Base-Backbone interact. energy: -0.161 local terms energy: -61.205781 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -14.958 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -10.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -154.807802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.807802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.807802 (E_RNA) where: Base-Base interactions energy: -91.854 where: short stacking energy: -45.709 Base-Backbone interact. energy: -0.038 local terms energy: -62.916326 where: bonds (distance) C4'-P energy: -17.426 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -7.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -94.751896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.751896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.751896 (E_RNA) where: Base-Base interactions energy: -41.680 where: short stacking energy: -41.680 Base-Backbone interact. energy: -0.217 local terms energy: -52.854408 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -16.248 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -82.399107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.399107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.399107 (E_RNA) where: Base-Base interactions energy: -26.722 where: short stacking energy: -26.722 Base-Backbone interact. energy: 0.843 local terms energy: -56.519997 where: bonds (distance) C4'-P energy: -18.226 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -7.393 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -86.066585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.066585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.066585 (E_RNA) where: Base-Base interactions energy: -40.731 where: short stacking energy: -30.079 Base-Backbone interact. energy: -0.177 local terms energy: -45.158176 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -206.704938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.704938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.704938 (E_RNA) where: Base-Base interactions energy: -137.398 where: short stacking energy: -65.541 Base-Backbone interact. energy: 1.281 local terms energy: -70.587118 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -11.975 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: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -185.662769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.662769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.662769 (E_RNA) where: Base-Base interactions energy: -122.721 where: short stacking energy: -61.381 Base-Backbone interact. energy: -0.353 local terms energy: -62.588882 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -14.347 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -13.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -177.832917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.832917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.832917 (E_RNA) where: Base-Base interactions energy: -108.680 where: short stacking energy: -63.186 Base-Backbone interact. energy: 0.911 local terms energy: -70.063722 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -16.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -165.437646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.437646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.437646 (E_RNA) where: Base-Base interactions energy: -98.952 where: short stacking energy: -59.635 Base-Backbone interact. energy: -0.378 local terms energy: -66.107323 where: bonds (distance) C4'-P energy: -16.334 bonds (distance) P-C4' energy: -16.001 flat angles C4'-P-C4' energy: -16.092 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -10.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -168.207610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.207610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.207610 (E_RNA) where: Base-Base interactions energy: -104.561 where: short stacking energy: -53.796 Base-Backbone interact. energy: -0.376 local terms energy: -63.271035 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -10.690 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: 8 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -157.063900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.063900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.063900 (E_RNA) where: Base-Base interactions energy: -93.421 where: short stacking energy: -53.453 Base-Backbone interact. energy: -0.187 local terms energy: -63.455206 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -16.504 flat angles C4'-P-C4' energy: -14.696 flat angles P-C4'-P energy: -12.937 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -155.121463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.121463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.121463 (E_RNA) where: Base-Base interactions energy: -96.358 where: short stacking energy: -53.974 Base-Backbone interact. energy: -0.147 local terms energy: -58.616437 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -15.378 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -10.052 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: 8, replica: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -83.923295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.923295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.923295 (E_RNA) where: Base-Base interactions energy: -32.701 where: short stacking energy: -32.701 Base-Backbone interact. energy: -0.166 local terms energy: -51.056242 where: bonds (distance) C4'-P energy: -16.217 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -87.288299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.288299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.288299 (E_RNA) where: Base-Base interactions energy: -39.537 where: short stacking energy: -31.128 Base-Backbone interact. energy: -0.271 local terms energy: -47.479917 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -8.373 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -75.550737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.550737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.550737 (E_RNA) where: Base-Base interactions energy: -29.875 where: short stacking energy: -29.875 Base-Backbone interact. energy: 1.445 local terms energy: -47.121083 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -13.273 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -206.084217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.084217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.084217 (E_RNA) where: Base-Base interactions energy: -138.462 where: short stacking energy: -73.517 Base-Backbone interact. energy: 1.329 local terms energy: -68.951106 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -15.382 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -14.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -183.209407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.209407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.209407 (E_RNA) where: Base-Base interactions energy: -107.505 where: short stacking energy: -66.968 Base-Backbone interact. energy: -0.002 local terms energy: -75.702277 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -16.892 flat angles P-C4'-P energy: -14.570 tors. eta vs tors. theta energy: -18.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -178.894158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.894158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.894158 (E_RNA) where: Base-Base interactions energy: -111.530 where: short stacking energy: -56.064 Base-Backbone interact. energy: -0.071 local terms energy: -67.293014 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -17.142 flat angles C4'-P-C4' energy: -14.969 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -12.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -182.532912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.532912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.532912 (E_RNA) where: Base-Base interactions energy: -103.165 where: short stacking energy: -63.152 Base-Backbone interact. energy: -0.007 local terms energy: -79.360356 where: bonds (distance) C4'-P energy: -14.847 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -17.237 flat angles P-C4'-P energy: -12.331 tors. eta vs tors. theta energy: -20.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -157.768242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.768242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.768242 (E_RNA) where: Base-Base interactions energy: -91.686 where: short stacking energy: -47.676 Base-Backbone interact. energy: -0.127 local terms energy: -65.955156 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -12.280 tors. eta vs tors. theta energy: -10.730 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: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -145.557483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.557483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.557483 (E_RNA) where: Base-Base interactions energy: -90.059 where: short stacking energy: -45.565 Base-Backbone interact. energy: -0.177 local terms energy: -55.321332 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -11.383 flat angles C4'-P-C4' energy: -11.131 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -11.190 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: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -168.653017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.653017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.653017 (E_RNA) where: Base-Base interactions energy: -97.954 where: short stacking energy: -56.084 Base-Backbone interact. energy: -0.017 local terms energy: -70.682419 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -15.908 flat angles C4'-P-C4' energy: -15.663 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -14.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -88.901226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.901226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.901226 (E_RNA) where: Base-Base interactions energy: -31.643 where: short stacking energy: -31.643 Base-Backbone interact. energy: -0.556 local terms energy: -56.702933 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -15.782 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -5.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -100.821771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.821771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.821771 (E_RNA) where: Base-Base interactions energy: -51.805 where: short stacking energy: -27.845 Base-Backbone interact. energy: -0.550 local terms energy: -48.466796 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -13.532 flat angles P-C4'-P energy: -7.662 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -81.441147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.441147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.441147 (E_RNA) where: Base-Base interactions energy: -37.343 where: short stacking energy: -32.718 Base-Backbone interact. energy: -0.041 local terms energy: -44.057356 where: bonds (distance) C4'-P energy: -15.998 bonds (distance) P-C4' energy: -8.543 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -3.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -188.984971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.984971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.984971 (E_RNA) where: Base-Base interactions energy: -111.672 where: short stacking energy: -62.387 Base-Backbone interact. energy: -0.017 local terms energy: -77.295726 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -18.933 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -12.185 tors. eta vs tors. theta energy: -15.499 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: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -203.382145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.382145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.382145 (E_RNA) where: Base-Base interactions energy: -132.937 where: short stacking energy: -65.314 Base-Backbone interact. energy: 1.271 local terms energy: -71.716160 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -17.052 flat angles P-C4'-P energy: -12.139 tors. eta vs tors. theta energy: -15.443 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: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -183.237706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.237706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.237706 (E_RNA) where: Base-Base interactions energy: -107.649 where: short stacking energy: -60.390 Base-Backbone interact. energy: -0.100 local terms energy: -75.488957 where: bonds (distance) C4'-P energy: -17.452 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -14.692 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -15.309 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: 7 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -174.047364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.047364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.047364 (E_RNA) where: Base-Base interactions energy: -100.773 where: short stacking energy: -58.788 Base-Backbone interact. energy: -0.016 local terms energy: -73.258297 where: bonds (distance) C4'-P energy: -15.399 bonds (distance) P-C4' energy: -16.145 flat angles C4'-P-C4' energy: -16.035 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -159.586413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.586413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.586413 (E_RNA) where: Base-Base interactions energy: -97.342 where: short stacking energy: -38.496 Base-Backbone interact. energy: 0.587 local terms energy: -62.831291 where: bonds (distance) C4'-P energy: -15.010 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -14.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -146.570104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.570104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.570104 (E_RNA) where: Base-Base interactions energy: -87.200 where: short stacking energy: -43.519 Base-Backbone interact. energy: -0.228 local terms energy: -59.142211 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -16.899 flat angles C4'-P-C4' energy: -9.872 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -9.107 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: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -160.468367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.468367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.468367 (E_RNA) where: Base-Base interactions energy: -93.197 where: short stacking energy: -53.974 Base-Backbone interact. energy: -0.014 local terms energy: -67.257385 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -82.387632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.387632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.387632 (E_RNA) where: Base-Base interactions energy: -32.976 where: short stacking energy: -25.363 Base-Backbone interact. energy: 2.254 local terms energy: -51.666007 where: bonds (distance) C4'-P energy: -8.622 bonds (distance) P-C4' energy: -14.655 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -87.131148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.131148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.131148 (E_RNA) where: Base-Base interactions energy: -26.151 where: short stacking energy: -23.039 Base-Backbone interact. energy: -0.765 local terms energy: -60.215551 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -16.571 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -72.153601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.153601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.153601 (E_RNA) where: Base-Base interactions energy: -23.182 where: short stacking energy: -23.053 Base-Backbone interact. energy: 0.128 local terms energy: -49.100151 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -14.874 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -192.796374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.796374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.796374 (E_RNA) where: Base-Base interactions energy: -119.590 where: short stacking energy: -71.000 Base-Backbone interact. energy: -0.085 local terms energy: -73.120408 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -14.213 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -174.752707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.752707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.752707 (E_RNA) where: Base-Base interactions energy: -110.957 where: short stacking energy: -66.213 Base-Backbone interact. energy: -0.077 local terms energy: -63.718514 where: bonds (distance) C4'-P energy: -9.683 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -17.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -195.146105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.146105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.146105 (E_RNA) where: Base-Base interactions energy: -129.282 where: short stacking energy: -57.216 Base-Backbone interact. energy: 1.331 local terms energy: -67.194763 where: bonds (distance) C4'-P energy: -16.579 bonds (distance) P-C4' energy: -14.390 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -12.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -171.103068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.103068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.103068 (E_RNA) where: Base-Base interactions energy: -115.814 where: short stacking energy: -46.307 Base-Backbone interact. energy: -0.744 local terms energy: -54.545495 where: bonds (distance) C4'-P energy: -14.723 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -157.443361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.443361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.443361 (E_RNA) where: Base-Base interactions energy: -92.166 where: short stacking energy: -53.787 Base-Backbone interact. energy: -0.008 local terms energy: -65.269214 where: bonds (distance) C4'-P energy: -15.188 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -12.360 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -149.967857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.967857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.967857 (E_RNA) where: Base-Base interactions energy: -83.026 where: short stacking energy: -42.154 Base-Backbone interact. energy: -0.237 local terms energy: -66.704946 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -16.706 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -7.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -151.789986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.789986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.789986 (E_RNA) where: Base-Base interactions energy: -85.937 where: short stacking energy: -45.719 Base-Backbone interact. energy: -0.130 local terms energy: -65.722916 where: bonds (distance) C4'-P energy: -13.271 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -12.669 tors. eta vs tors. theta energy: -10.218 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: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -88.994407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.994407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.994407 (E_RNA) where: Base-Base interactions energy: -38.581 where: short stacking energy: -23.670 Base-Backbone interact. energy: -0.547 local terms energy: -49.865778 where: bonds (distance) C4'-P energy: -12.970 bonds (distance) P-C4' energy: -14.459 flat angles C4'-P-C4' energy: -10.147 flat angles P-C4'-P energy: -8.129 tors. eta vs tors. theta energy: -4.161 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: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -83.276012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.276012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.276012 (E_RNA) where: Base-Base interactions energy: -27.946 where: short stacking energy: -24.996 Base-Backbone interact. energy: -0.127 local terms energy: -55.203053 where: bonds (distance) C4'-P energy: -15.970 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -80.673146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.673146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.673146 (E_RNA) where: Base-Base interactions energy: -30.295 where: short stacking energy: -30.295 Base-Backbone interact. energy: -0.016 local terms energy: -50.362457 where: bonds (distance) C4'-P energy: -6.817 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -192.837619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.837619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.837619 (E_RNA) where: Base-Base interactions energy: -115.979 where: short stacking energy: -69.144 Base-Backbone interact. energy: -0.031 local terms energy: -76.826967 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -16.470 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -18.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -192.894377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.894377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.894377 (E_RNA) where: Base-Base interactions energy: -120.731 where: short stacking energy: -61.180 Base-Backbone interact. energy: -0.006 local terms energy: -72.157082 where: bonds (distance) C4'-P energy: -17.779 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -176.035233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.035233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.035233 (E_RNA) where: Base-Base interactions energy: -109.115 where: short stacking energy: -60.003 Base-Backbone interact. energy: -0.347 local terms energy: -66.573837 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -16.307 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -175.452390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.452390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.452390 (E_RNA) where: Base-Base interactions energy: -117.394 where: short stacking energy: -47.553 Base-Backbone interact. energy: 3.985 local terms energy: -62.043269 where: bonds (distance) C4'-P energy: -18.280 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -12.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -154.355731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.355731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.355731 (E_RNA) where: Base-Base interactions energy: -95.900 where: short stacking energy: -49.297 Base-Backbone interact. energy: -0.044 local terms energy: -58.411973 where: bonds (distance) C4'-P energy: -13.548 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -166.697969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.697969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.697969 (E_RNA) where: Base-Base interactions energy: -107.783 where: short stacking energy: -50.251 Base-Backbone interact. energy: -0.631 local terms energy: -58.283598 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -13.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -143.144220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.144220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.144220 (E_RNA) where: Base-Base interactions energy: -86.371 where: short stacking energy: -44.838 Base-Backbone interact. energy: -0.322 local terms energy: -56.451261 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -12.986 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -85.917292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.917292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.917292 (E_RNA) where: Base-Base interactions energy: -25.466 where: short stacking energy: -25.466 Base-Backbone interact. energy: -0.014 local terms energy: -60.438113 where: bonds (distance) C4'-P energy: -16.765 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -11.196 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -86.181796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.181796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.181796 (E_RNA) where: Base-Base interactions energy: -38.876 where: short stacking energy: -38.117 Base-Backbone interact. energy: -0.172 local terms energy: -47.133983 where: bonds (distance) C4'-P energy: -10.497 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -145.298269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.298269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.298269 (E_RNA) where: Base-Base interactions energy: -87.649 where: short stacking energy: -44.008 Base-Backbone interact. energy: -0.413 local terms energy: -57.236289 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -13.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -184.593318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.593318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.593318 (E_RNA) where: Base-Base interactions energy: -113.025 where: short stacking energy: -65.345 Base-Backbone interact. energy: -0.005 local terms energy: -71.563878 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -16.772 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -16.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -182.408226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.408226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.408226 (E_RNA) where: Base-Base interactions energy: -111.372 where: short stacking energy: -67.036 Base-Backbone interact. energy: -0.016 local terms energy: -71.019277 where: bonds (distance) C4'-P energy: -15.953 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -13.233 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: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -176.152238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.152238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.152238 (E_RNA) where: Base-Base interactions energy: -105.267 where: short stacking energy: -58.047 Base-Backbone interact. energy: -0.077 local terms energy: -70.808627 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -13.198 tors. eta vs tors. theta energy: -11.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -174.990149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.990149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.990149 (E_RNA) where: Base-Base interactions energy: -105.659 where: short stacking energy: -62.330 Base-Backbone interact. energy: 0.868 local terms energy: -70.199257 where: bonds (distance) C4'-P energy: -10.157 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -14.868 flat angles P-C4'-P energy: -12.050 tors. eta vs tors. theta energy: -16.725 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: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -161.735319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.735319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.735319 (E_RNA) where: Base-Base interactions energy: -99.128 where: short stacking energy: -57.314 Base-Backbone interact. energy: -0.130 local terms energy: -62.477003 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -13.068 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: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -160.258016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.258016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.258016 (E_RNA) where: Base-Base interactions energy: -96.342 where: short stacking energy: -51.291 Base-Backbone interact. energy: -0.036 local terms energy: -63.880480 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -16.451 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -10.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -148.921588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.921588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.921588 (E_RNA) where: Base-Base interactions energy: -87.964 where: short stacking energy: -41.842 Base-Backbone interact. energy: -0.172 local terms energy: -60.784958 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -13.400 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -98.020940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.020940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.020940 (E_RNA) where: Base-Base interactions energy: -34.460 where: short stacking energy: -34.460 Base-Backbone interact. energy: -0.005 local terms energy: -63.556095 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -12.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -83.215094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.215094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.215094 (E_RNA) where: Base-Base interactions energy: -34.922 where: short stacking energy: -33.360 Base-Backbone interact. energy: -0.072 local terms energy: -48.220881 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -10.618 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -6.594 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: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -136.476721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.476721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.476721 (E_RNA) where: Base-Base interactions energy: -92.194 where: short stacking energy: -49.096 Base-Backbone interact. energy: -0.123 local terms energy: -44.159086 where: bonds (distance) C4'-P energy: -10.423 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -9.611 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: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -186.603210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.603210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.603210 (E_RNA) where: Base-Base interactions energy: -106.024 where: short stacking energy: -60.669 Base-Backbone interact. energy: -0.117 local terms energy: -80.461940 where: bonds (distance) C4'-P energy: -16.859 bonds (distance) P-C4' energy: -14.802 flat angles C4'-P-C4' energy: -17.846 flat angles P-C4'-P energy: -13.691 tors. eta vs tors. theta energy: -17.263 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: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -183.237522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.237522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.237522 (E_RNA) where: Base-Base interactions energy: -111.317 where: short stacking energy: -56.778 Base-Backbone interact. energy: -0.126 local terms energy: -71.794144 where: bonds (distance) C4'-P energy: -18.404 bonds (distance) P-C4' energy: -10.086 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -15.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -179.224306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.224306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.224306 (E_RNA) where: Base-Base interactions energy: -109.482 where: short stacking energy: -65.773 Base-Backbone interact. energy: -0.009 local terms energy: -69.733037 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -18.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -173.182707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.182707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.182707 (E_RNA) where: Base-Base interactions energy: -102.571 where: short stacking energy: -57.716 Base-Backbone interact. energy: -0.150 local terms energy: -70.462216 where: bonds (distance) C4'-P energy: -16.431 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -170.274229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.274229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.274229 (E_RNA) where: Base-Base interactions energy: -106.612 where: short stacking energy: -61.426 Base-Backbone interact. energy: -0.039 local terms energy: -63.622982 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -16.942 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -16.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -155.588298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.588298 (E_RNA) where: Base-Base interactions energy: -93.142 where: short stacking energy: -41.723 Base-Backbone interact. energy: -0.047 local terms energy: -62.399526 where: bonds (distance) C4'-P energy: -17.969 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -122.914374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.914374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.914374 (E_RNA) where: Base-Base interactions energy: -73.886 where: short stacking energy: -33.734 Base-Backbone interact. energy: -0.125 local terms energy: -48.903222 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -7.400 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: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -138.707105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.707105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.707105 (E_RNA) where: Base-Base interactions energy: -80.117 where: short stacking energy: -35.020 Base-Backbone interact. energy: -0.206 local terms energy: -58.384508 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -10.638 flat angles C4'-P-C4' energy: -16.664 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -140.306064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.306064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.306064 (E_RNA) where: Base-Base interactions energy: -80.678 where: short stacking energy: -40.602 Base-Backbone interact. energy: -0.290 local terms energy: -59.337286 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -17.362 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -74.524150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.524150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.524150 (E_RNA) where: Base-Base interactions energy: -25.974 where: short stacking energy: -25.974 Base-Backbone interact. energy: -0.043 local terms energy: -48.507816 where: bonds (distance) C4'-P energy: -11.002 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -179.721659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.721659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.721659 (E_RNA) where: Base-Base interactions energy: -109.871 where: short stacking energy: -66.846 Base-Backbone interact. energy: -0.001 local terms energy: -69.849692 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -17.021 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -187.168563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.168563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.168563 (E_RNA) where: Base-Base interactions energy: -110.397 where: short stacking energy: -65.340 Base-Backbone interact. energy: -0.001 local terms energy: -76.770965 where: bonds (distance) C4'-P energy: -17.191 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -16.505 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -17.649 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: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -178.375082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.375082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.375082 (E_RNA) where: Base-Base interactions energy: -103.326 where: short stacking energy: -57.010 Base-Backbone interact. energy: -0.817 local terms energy: -74.232568 where: bonds (distance) C4'-P energy: -15.692 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -18.028 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -168.797042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.797042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.797042 (E_RNA) where: Base-Base interactions energy: -109.993 where: short stacking energy: -54.154 Base-Backbone interact. energy: 0.003 local terms energy: -58.806523 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -12.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -170.939069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.939069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.939069 (E_RNA) where: Base-Base interactions energy: -102.897 where: short stacking energy: -61.550 Base-Backbone interact. energy: -0.092 local terms energy: -67.950508 where: bonds (distance) C4'-P energy: -15.124 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -16.366 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -159.618221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.618221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.618221 (E_RNA) where: Base-Base interactions energy: -94.556 where: short stacking energy: -55.240 Base-Backbone interact. energy: -0.175 local terms energy: -64.887081 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -15.429 flat angles C4'-P-C4' energy: -16.732 flat angles P-C4'-P energy: -12.426 tors. eta vs tors. theta energy: -9.729 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: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -122.035528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.035528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.035528 (E_RNA) where: Base-Base interactions energy: -73.551 where: short stacking energy: -43.226 Base-Backbone interact. energy: 0.748 local terms energy: -49.232619 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -12.054 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -6.103 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: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -144.325326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.325326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.325326 (E_RNA) where: Base-Base interactions energy: -94.080 where: short stacking energy: -49.320 Base-Backbone interact. energy: -0.078 local terms energy: -50.167670 where: bonds (distance) C4'-P energy: -9.522 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -10.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -143.159988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.159988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.159988 (E_RNA) where: Base-Base interactions energy: -87.503 where: short stacking energy: -47.213 Base-Backbone interact. energy: 0.346 local terms energy: -56.002894 where: bonds (distance) C4'-P energy: -17.067 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -9.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -78.798980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.798980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.798980 (E_RNA) where: Base-Base interactions energy: -30.707 where: short stacking energy: -30.707 Base-Backbone interact. energy: -0.038 local terms energy: -48.054298 where: bonds (distance) C4'-P energy: -11.609 bonds (distance) P-C4' energy: -16.642 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -181.072109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.072109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.072109 (E_RNA) where: Base-Base interactions energy: -107.795 where: short stacking energy: -67.186 Base-Backbone interact. energy: -0.007 local terms energy: -73.269910 where: bonds (distance) C4'-P energy: -15.474 bonds (distance) P-C4' energy: -16.216 flat angles C4'-P-C4' energy: -16.638 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -17.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -176.050143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.050143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.050143 (E_RNA) where: Base-Base interactions energy: -105.473 where: short stacking energy: -68.755 Base-Backbone interact. energy: -0.022 local terms energy: -70.554610 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -18.469 flat angles C4'-P-C4' energy: -17.890 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -16.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -178.127014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.127014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.127014 (E_RNA) where: Base-Base interactions energy: -105.156 where: short stacking energy: -61.075 Base-Backbone interact. energy: -0.001 local terms energy: -72.970641 where: bonds (distance) C4'-P energy: -14.909 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -16.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -167.744175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.744175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.744175 (E_RNA) where: Base-Base interactions energy: -101.272 where: short stacking energy: -60.559 Base-Backbone interact. energy: -0.078 local terms energy: -66.395149 where: bonds (distance) C4'-P energy: -15.805 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -17.208 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -14.078 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: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -170.680824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.680824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.680824 (E_RNA) where: Base-Base interactions energy: -95.506 where: short stacking energy: -54.500 Base-Backbone interact. energy: -0.043 local terms energy: -75.132113 where: bonds (distance) C4'-P energy: -17.895 bonds (distance) P-C4' energy: -18.246 flat angles C4'-P-C4' energy: -16.181 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -14.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -159.363074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.363074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.363074 (E_RNA) where: Base-Base interactions energy: -90.161 where: short stacking energy: -44.619 Base-Backbone interact. energy: -0.130 local terms energy: -69.071808 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -17.800 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -11.103 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: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -153.679646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.679646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.679646 (E_RNA) where: Base-Base interactions energy: -93.742 where: short stacking energy: -45.416 Base-Backbone interact. energy: -0.086 local terms energy: -59.852147 where: bonds (distance) C4'-P energy: -16.210 bonds (distance) P-C4' energy: -10.814 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -9.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -96.829943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.829943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.829943 (E_RNA) where: Base-Base interactions energy: -39.229 where: short stacking energy: -39.229 Base-Backbone interact. energy: -0.112 local terms energy: -57.489114 where: bonds (distance) C4'-P energy: -12.021 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -9.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -146.393795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.393795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.393795 (E_RNA) where: Base-Base interactions energy: -95.018 where: short stacking energy: -43.027 Base-Backbone interact. energy: -0.046 local terms energy: -51.330098 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -15.593 flat angles C4'-P-C4' energy: -16.639 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -78.191574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.191574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.191574 (E_RNA) where: Base-Base interactions energy: -35.735 where: short stacking energy: -28.978 Base-Backbone interact. energy: 1.491 local terms energy: -43.948038 where: bonds (distance) C4'-P energy: -14.773 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -10.168 flat angles P-C4'-P energy: -0.712 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -193.576930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.576930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.576930 (E_RNA) where: Base-Base interactions energy: -116.174 where: short stacking energy: -69.887 Base-Backbone interact. energy: 2.495 local terms energy: -79.897134 where: bonds (distance) C4'-P energy: -15.606 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -16.489 flat angles P-C4'-P energy: -12.197 tors. eta vs tors. theta energy: -21.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -168.157402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.157402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.157402 (E_RNA) where: Base-Base interactions energy: -101.228 where: short stacking energy: -49.240 Base-Backbone interact. energy: -0.207 local terms energy: -66.722198 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -10.893 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: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -171.039458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.039458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.039458 (E_RNA) where: Base-Base interactions energy: -105.749 where: short stacking energy: -58.890 Base-Backbone interact. energy: -0.109 local terms energy: -65.181132 where: bonds (distance) C4'-P energy: -16.226 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -13.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -175.506965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.506965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.506965 (E_RNA) where: Base-Base interactions energy: -104.658 where: short stacking energy: -65.398 Base-Backbone interact. energy: -0.069 local terms energy: -70.779918 where: bonds (distance) C4'-P energy: -16.491 bonds (distance) P-C4' energy: -10.257 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -11.794 tors. eta vs tors. theta energy: -16.120 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: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -162.148602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.148602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.148602 (E_RNA) where: Base-Base interactions energy: -96.688 where: short stacking energy: -48.864 Base-Backbone interact. energy: -0.047 local terms energy: -65.413072 where: bonds (distance) C4'-P energy: -16.147 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -11.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -163.979662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.979662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.979662 (E_RNA) where: Base-Base interactions energy: -98.965 where: short stacking energy: -55.384 Base-Backbone interact. energy: -0.018 local terms energy: -64.996652 where: bonds (distance) C4'-P energy: -7.487 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -12.524 tors. eta vs tors. theta energy: -16.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -153.802740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.802740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.802740 (E_RNA) where: Base-Base interactions energy: -96.288 where: short stacking energy: -54.299 Base-Backbone interact. energy: -0.102 local terms energy: -57.412696 where: bonds (distance) C4'-P energy: -9.278 bonds (distance) P-C4' energy: -12.118 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -16.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -146.186735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.186735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.186735 (E_RNA) where: Base-Base interactions energy: -92.113 where: short stacking energy: -46.360 Base-Backbone interact. energy: -0.108 local terms energy: -53.965641 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -9.930 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: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -79.979364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.979364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.979364 (E_RNA) where: Base-Base interactions energy: -41.571 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.360 local terms energy: -38.048326 where: bonds (distance) C4'-P energy: -3.091 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -0.037 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: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -70.792618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.792618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.792618 (E_RNA) where: Base-Base interactions energy: -25.006 where: short stacking energy: -25.006 Base-Backbone interact. energy: -0.081 local terms energy: -45.705354 where: bonds (distance) C4'-P energy: -11.275 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -4.112 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: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -189.384552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.384552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.384552 (E_RNA) where: Base-Base interactions energy: -115.780 where: short stacking energy: -67.585 Base-Backbone interact. energy: -0.359 local terms energy: -73.245498 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -16.712 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -176.430329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.430329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.430329 (E_RNA) where: Base-Base interactions energy: -109.727 where: short stacking energy: -54.027 Base-Backbone interact. energy: -0.149 local terms energy: -66.554346 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -17.144 flat angles P-C4'-P energy: -13.352 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -175.822934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.822934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.822934 (E_RNA) where: Base-Base interactions energy: -106.755 where: short stacking energy: -60.051 Base-Backbone interact. energy: -0.009 local terms energy: -69.059042 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -18.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -182.616256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.616256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.616256 (E_RNA) where: Base-Base interactions energy: -111.248 where: short stacking energy: -59.692 Base-Backbone interact. energy: -0.336 local terms energy: -71.031641 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -14.594 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -12.121 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -177.617903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.617903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.617903 (E_RNA) where: Base-Base interactions energy: -117.671 where: short stacking energy: -54.408 Base-Backbone interact. energy: -0.011 local terms energy: -59.935483 where: bonds (distance) C4'-P energy: -15.556 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -11.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -160.476065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.476065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.476065 (E_RNA) where: Base-Base interactions energy: -97.980 where: short stacking energy: -44.841 Base-Backbone interact. energy: -0.055 local terms energy: -62.440575 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -18.425 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -9.464 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: 7, replica: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -155.071590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.071590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.071590 (E_RNA) where: Base-Base interactions energy: -93.907 where: short stacking energy: -48.891 Base-Backbone interact. energy: -0.136 local terms energy: -61.028297 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -11.782 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: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -154.707300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.707300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.707300 (E_RNA) where: Base-Base interactions energy: -89.756 where: short stacking energy: -50.115 Base-Backbone interact. energy: -0.082 local terms energy: -64.868863 where: bonds (distance) C4'-P energy: -17.824 bonds (distance) P-C4' energy: -14.599 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -10.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -86.782771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.782771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.782771 (E_RNA) where: Base-Base interactions energy: -33.094 where: short stacking energy: -33.094 Base-Backbone interact. energy: -0.032 local terms energy: -53.656819 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -12.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -76.612196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.612196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.612196 (E_RNA) where: Base-Base interactions energy: -35.950 where: short stacking energy: -16.952 Base-Backbone interact. energy: -0.095 local terms energy: -40.567632 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: 2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -195.225761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.225761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.225761 (E_RNA) where: Base-Base interactions energy: -121.213 where: short stacking energy: -73.614 Base-Backbone interact. energy: 0.008 local terms energy: -74.019983 where: bonds (distance) C4'-P energy: -17.568 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -186.616560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.616560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.616560 (E_RNA) where: Base-Base interactions energy: -111.720 where: short stacking energy: -60.206 Base-Backbone interact. energy: -0.080 local terms energy: -74.817149 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -15.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -180.926055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.926055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.926055 (E_RNA) where: Base-Base interactions energy: -110.853 where: short stacking energy: -69.034 Base-Backbone interact. energy: -0.289 local terms energy: -69.783952 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -12.593 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -18.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -179.489607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.489607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.489607 (E_RNA) where: Base-Base interactions energy: -107.122 where: short stacking energy: -56.446 Base-Backbone interact. energy: 0.071 local terms energy: -72.438268 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -19.152 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -11.304 tors. eta vs tors. theta energy: -13.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -176.631820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.631820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.631820 (E_RNA) where: Base-Base interactions energy: -104.096 where: short stacking energy: -57.037 Base-Backbone interact. energy: -0.004 local terms energy: -72.532654 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -16.723 flat angles P-C4'-P energy: -10.471 tors. eta vs tors. theta energy: -14.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -152.208219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.208219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.208219 (E_RNA) where: Base-Base interactions energy: -87.257 where: short stacking energy: -44.675 Base-Backbone interact. energy: -0.174 local terms energy: -64.778055 where: bonds (distance) C4'-P energy: -17.353 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -14.212 tors. eta vs tors. theta energy: -7.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -162.634995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.634995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.634995 (E_RNA) where: Base-Base interactions energy: -104.487 where: short stacking energy: -51.575 Base-Backbone interact. energy: -0.162 local terms energy: -57.986233 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -12.269 tors. eta vs tors. theta energy: -10.125 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: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -142.544477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.544477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.544477 (E_RNA) where: Base-Base interactions energy: -83.647 where: short stacking energy: -39.237 Base-Backbone interact. energy: -0.341 local terms energy: -58.556235 where: bonds (distance) C4'-P energy: -15.999 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -7.031 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: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -91.897293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.897293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.897293 (E_RNA) where: Base-Base interactions energy: -34.571 where: short stacking energy: -34.571 Base-Backbone interact. energy: -0.107 local terms energy: -57.218995 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -8.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -78.708257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.708257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.708257 (E_RNA) where: Base-Base interactions energy: -26.882 where: short stacking energy: -22.682 Base-Backbone interact. energy: -0.037 local terms energy: -51.789721 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -13.798 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -190.956813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.956813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.956813 (E_RNA) where: Base-Base interactions energy: -114.162 where: short stacking energy: -68.032 Base-Backbone interact. energy: -0.032 local terms energy: -76.762788 where: bonds (distance) C4'-P energy: -16.599 bonds (distance) P-C4' energy: -16.636 flat angles C4'-P-C4' energy: -15.925 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -16.915 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: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -179.857851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.857851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.857851 (E_RNA) where: Base-Base interactions energy: -113.504 where: short stacking energy: -69.736 Base-Backbone interact. energy: -0.042 local terms energy: -66.312404 where: bonds (distance) C4'-P energy: -6.501 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -15.605 flat angles P-C4'-P energy: -13.881 tors. eta vs tors. theta energy: -17.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -179.991669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.991669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.991669 (E_RNA) where: Base-Base interactions energy: -111.899 where: short stacking energy: -68.131 Base-Backbone interact. energy: -0.098 local terms energy: -67.994751 where: bonds (distance) C4'-P energy: -8.947 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -16.120 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -158.697261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.697261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.697261 (E_RNA) where: Base-Base interactions energy: -96.046 where: short stacking energy: -55.437 Base-Backbone interact. energy: -0.048 local terms energy: -62.602602 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -13.442 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -8.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -174.010262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.010262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.010262 (E_RNA) where: Base-Base interactions energy: -109.651 where: short stacking energy: -53.158 Base-Backbone interact. energy: -0.574 local terms energy: -63.785630 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -14.965 flat angles C4'-P-C4' energy: -16.847 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -11.797 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: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -153.728080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.728080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.728080 (E_RNA) where: Base-Base interactions energy: -96.570 where: short stacking energy: -48.013 Base-Backbone interact. energy: -0.618 local terms energy: -56.540068 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -8.930 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -10.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -152.516852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.516852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.516852 (E_RNA) where: Base-Base interactions energy: -86.803 where: short stacking energy: -45.276 Base-Backbone interact. energy: 1.638 local terms energy: -67.352361 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -12.262 tors. eta vs tors. theta energy: -10.461 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: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -146.904530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.904530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.904530 (E_RNA) where: Base-Base interactions energy: -87.322 where: short stacking energy: -46.125 Base-Backbone interact. energy: -0.135 local terms energy: -59.447162 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -17.521 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -7.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -88.639064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.639064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.639064 (E_RNA) where: Base-Base interactions energy: -44.696 where: short stacking energy: -21.863 Base-Backbone interact. energy: -0.598 local terms energy: -43.345349 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -16.315 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: 1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -80.021435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.021435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.021435 (E_RNA) where: Base-Base interactions energy: -31.228 where: short stacking energy: -31.228 Base-Backbone interact. energy: -0.119 local terms energy: -48.674934 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -188.476059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.476059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.476059 (E_RNA) where: Base-Base interactions energy: -120.019 where: short stacking energy: -56.540 Base-Backbone interact. energy: 0.416 local terms energy: -68.872303 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -12.858 tors. eta vs tors. theta energy: -14.341 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: 259 Temperature: 0.950000 Total energy: -180.976307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.976307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.976307 (E_RNA) where: Base-Base interactions energy: -112.554 where: short stacking energy: -64.427 Base-Backbone interact. energy: -0.168 local terms energy: -68.254176 where: bonds (distance) C4'-P energy: -16.222 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -17.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -174.390361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.390361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.390361 (E_RNA) where: Base-Base interactions energy: -105.397 where: short stacking energy: -56.357 Base-Backbone interact. energy: -0.048 local terms energy: -68.945321 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -189.362594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.362594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.362594 (E_RNA) where: Base-Base interactions energy: -124.907 where: short stacking energy: -59.197 Base-Backbone interact. energy: -0.129 local terms energy: -64.327141 where: bonds (distance) C4'-P energy: -11.033 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -17.617 flat angles P-C4'-P energy: -7.079 tors. eta vs tors. theta energy: -14.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -161.742428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.742428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.742428 (E_RNA) where: Base-Base interactions energy: -93.530 where: short stacking energy: -42.543 Base-Backbone interact. energy: -0.074 local terms energy: -68.138114 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -18.182 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -10.025 tors. eta vs tors. theta energy: -10.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -158.772966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.772966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.772966 (E_RNA) where: Base-Base interactions energy: -99.215 where: short stacking energy: -51.278 Base-Backbone interact. energy: -0.073 local terms energy: -59.485113 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -156.700464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.700464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.700464 (E_RNA) where: Base-Base interactions energy: -96.992 where: short stacking energy: -45.706 Base-Backbone interact. energy: -0.596 local terms energy: -59.111967 where: bonds (distance) C4'-P energy: -9.893 bonds (distance) P-C4' energy: -15.804 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -11.202 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: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -140.009928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.009928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.009928 (E_RNA) where: Base-Base interactions energy: -90.253 where: short stacking energy: -44.170 Base-Backbone interact. energy: -0.239 local terms energy: -49.517601 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -10.746 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -89.932706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.932706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.932706 (E_RNA) where: Base-Base interactions energy: -40.169 where: short stacking energy: -40.169 Base-Backbone interact. energy: -0.018 local terms energy: -49.745094 where: bonds (distance) C4'-P energy: -9.238 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -9.203 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: 10, replica: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -75.615484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.615484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.615484 (E_RNA) where: Base-Base interactions energy: -23.330 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.055 local terms energy: -52.231378 where: bonds (distance) C4'-P energy: -17.833 bonds (distance) P-C4' energy: -10.627 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -2.620 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: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -195.812257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.812257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.812257 (E_RNA) where: Base-Base interactions energy: -121.777 where: short stacking energy: -77.292 Base-Backbone interact. energy: -0.025 local terms energy: -74.010132 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -12.650 tors. eta vs tors. theta energy: -19.334 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: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -188.779183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.779183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.779183 (E_RNA) where: Base-Base interactions energy: -114.583 where: short stacking energy: -70.582 Base-Backbone interact. energy: 1.091 local terms energy: -75.287786 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -16.218 flat angles P-C4'-P energy: -9.589 tors. eta vs tors. theta energy: -17.532 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: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -196.004419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.004419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.004419 (E_RNA) where: Base-Base interactions energy: -128.068 where: short stacking energy: -66.164 Base-Backbone interact. energy: 0.001 local terms energy: -67.936654 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -16.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -171.211570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.211570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.211570 (E_RNA) where: Base-Base interactions energy: -100.112 where: short stacking energy: -56.355 Base-Backbone interact. energy: -0.134 local terms energy: -70.965950 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -17.216 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -158.228314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.228314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.228314 (E_RNA) where: Base-Base interactions energy: -98.623 where: short stacking energy: -47.940 Base-Backbone interact. energy: 0.833 local terms energy: -60.438427 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -9.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -154.395287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.395287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.395287 (E_RNA) where: Base-Base interactions energy: -85.699 where: short stacking energy: -45.871 Base-Backbone interact. energy: -0.066 local terms energy: -68.630712 where: bonds (distance) C4'-P energy: -15.527 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -19.279 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -10.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -144.907864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.907864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.907864 (E_RNA) where: Base-Base interactions energy: -84.378 where: short stacking energy: -42.621 Base-Backbone interact. energy: 0.702 local terms energy: -61.231547 where: bonds (distance) C4'-P energy: -15.854 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -143.193831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.193831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.193831 (E_RNA) where: Base-Base interactions energy: -92.108 where: short stacking energy: -41.793 Base-Backbone interact. energy: -0.261 local terms energy: -50.825060 where: bonds (distance) C4'-P energy: -12.063 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -93.356184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.356184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.356184 (E_RNA) where: Base-Base interactions energy: -40.505 where: short stacking energy: -40.505 Base-Backbone interact. energy: -0.141 local terms energy: -52.709510 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -10.075 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -78.427208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.427208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.427208 (E_RNA) where: Base-Base interactions energy: -34.772 where: short stacking energy: -29.958 Base-Backbone interact. energy: -0.433 local terms energy: -43.221790 where: bonds (distance) C4'-P energy: -10.417 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -7.393 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -197.027011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.027011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.027011 (E_RNA) where: Base-Base interactions energy: -119.419 where: short stacking energy: -72.294 Base-Backbone interact. energy: -0.020 local terms energy: -77.587529 where: bonds (distance) C4'-P energy: -15.312 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -20.431 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: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -186.630687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.630687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.630687 (E_RNA) where: Base-Base interactions energy: -114.187 where: short stacking energy: -73.772 Base-Backbone interact. energy: -0.037 local terms energy: -72.406957 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -13.994 tors. eta vs tors. theta energy: -19.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -172.085849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.085849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.085849 (E_RNA) where: Base-Base interactions energy: -101.160 where: short stacking energy: -63.285 Base-Backbone interact. energy: -0.126 local terms energy: -70.799721 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -16.205 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -10.436 tors. eta vs tors. theta energy: -18.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -180.521388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.521388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.521388 (E_RNA) where: Base-Base interactions energy: -113.954 where: short stacking energy: -63.700 Base-Backbone interact. energy: -0.055 local terms energy: -66.511560 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -14.105 flat angles P-C4'-P energy: -7.105 tors. eta vs tors. theta energy: -16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -163.629087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.629087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.629087 (E_RNA) where: Base-Base interactions energy: -99.460 where: short stacking energy: -54.908 Base-Backbone interact. energy: 2.727 local terms energy: -66.895810 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -12.766 tors. eta vs tors. theta energy: -11.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -153.176503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.176503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.176503 (E_RNA) where: Base-Base interactions energy: -96.095 where: short stacking energy: -54.693 Base-Backbone interact. energy: -0.044 local terms energy: -57.038081 where: bonds (distance) C4'-P energy: -15.295 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -8.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -147.431103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.431103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.431103 (E_RNA) where: Base-Base interactions energy: -96.120 where: short stacking energy: -48.040 Base-Backbone interact. energy: -0.262 local terms energy: -51.049581 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -10.047 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -90.131431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.131431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.131431 (E_RNA) where: Base-Base interactions energy: -33.177 where: short stacking energy: -33.177 Base-Backbone interact. energy: 0.831 local terms energy: -57.785455 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -7.877 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: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -139.198899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.198899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.198899 (E_RNA) where: Base-Base interactions energy: -78.601 where: short stacking energy: -34.092 Base-Backbone interact. energy: 0.715 local terms energy: -61.312954 where: bonds (distance) C4'-P energy: -11.519 bonds (distance) P-C4' energy: -18.240 flat angles C4'-P-C4' energy: -15.007 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -8.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -73.442439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.442439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.442439 (E_RNA) where: Base-Base interactions energy: -28.002 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.478 local terms energy: -44.962597 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -15.522 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: 4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -188.417542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.417542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.417542 (E_RNA) where: Base-Base interactions energy: -116.036 where: short stacking energy: -68.693 Base-Backbone interact. energy: -0.177 local terms energy: -72.204348 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -17.112 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -17.867 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: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -190.097236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.097236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.097236 (E_RNA) where: Base-Base interactions energy: -115.561 where: short stacking energy: -74.711 Base-Backbone interact. energy: -0.007 local terms energy: -74.529239 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -18.201 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -21.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -175.267806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.267806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.267806 (E_RNA) where: Base-Base interactions energy: -102.811 where: short stacking energy: -61.234 Base-Backbone interact. energy: 0.490 local terms energy: -72.946960 where: bonds (distance) C4'-P energy: -16.937 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -13.734 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -188.097034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.097034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.097034 (E_RNA) where: Base-Base interactions energy: -118.954 where: short stacking energy: -54.411 Base-Backbone interact. energy: -0.100 local terms energy: -69.043597 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -15.905 flat angles C4'-P-C4' energy: -16.311 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -14.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -156.253116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.253116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.253116 (E_RNA) where: Base-Base interactions energy: -94.046 where: short stacking energy: -47.952 Base-Backbone interact. energy: -0.201 local terms energy: -62.005987 where: bonds (distance) C4'-P energy: -12.373 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -10.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -157.833726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.833726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.833726 (E_RNA) where: Base-Base interactions energy: -97.310 where: short stacking energy: -56.060 Base-Backbone interact. energy: -0.162 local terms energy: -60.361427 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -12.110 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: 262 Temperature: 1.200000 Total energy: -156.856050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.856050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.856050 (E_RNA) where: Base-Base interactions energy: -92.330 where: short stacking energy: -48.610 Base-Backbone interact. energy: -0.088 local terms energy: -64.438343 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -10.069 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -13.826 tors. eta vs tors. theta energy: -14.050 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: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -86.775065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.775065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.775065 (E_RNA) where: Base-Base interactions energy: -34.954 where: short stacking energy: -29.740 Base-Backbone interact. energy: -0.159 local terms energy: -51.661913 where: bonds (distance) C4'-P energy: -12.977 bonds (distance) P-C4' energy: -17.246 flat angles C4'-P-C4' energy: -11.356 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -0.116 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: 9, replica: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -139.931897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.931897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.931897 (E_RNA) where: Base-Base interactions energy: -89.355 where: short stacking energy: -42.974 Base-Backbone interact. energy: -0.320 local terms energy: -50.256591 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -81.910176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.910176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.910176 (E_RNA) where: Base-Base interactions energy: -37.430 where: short stacking energy: -32.770 Base-Backbone interact. energy: -0.362 local terms energy: -44.118408 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -11.495 tors. eta vs tors. theta energy: -4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -182.530208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.530208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.530208 (E_RNA) where: Base-Base interactions energy: -108.692 where: short stacking energy: -62.777 Base-Backbone interact. energy: -0.087 local terms energy: -73.751360 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -15.849 flat angles P-C4'-P energy: -11.287 tors. eta vs tors. theta energy: -16.539 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: 263 Temperature: 0.950000 Total energy: -182.414317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.414317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.414317 (E_RNA) where: Base-Base interactions energy: -115.712 where: short stacking energy: -58.112 Base-Backbone interact. energy: -0.225 local terms energy: -66.477931 where: bonds (distance) C4'-P energy: -9.558 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -11.246 tors. eta vs tors. theta energy: -17.683 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: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -185.236439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.236439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.236439 (E_RNA) where: Base-Base interactions energy: -111.970 where: short stacking energy: -63.224 Base-Backbone interact. energy: -0.078 local terms energy: -73.188452 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -15.669 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -15.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -170.879686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.879686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.879686 (E_RNA) where: Base-Base interactions energy: -99.228 where: short stacking energy: -55.345 Base-Backbone interact. energy: 0.820 local terms energy: -72.471642 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -16.433 flat angles C4'-P-C4' energy: -18.800 flat angles P-C4'-P energy: -11.741 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -160.984686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.984686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.984686 (E_RNA) where: Base-Base interactions energy: -97.595 where: short stacking energy: -51.899 Base-Backbone interact. energy: -0.294 local terms energy: -63.095988 where: bonds (distance) C4'-P energy: -14.802 bonds (distance) P-C4' energy: -11.018 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -12.249 tors. eta vs tors. theta energy: -11.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -144.370394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.370394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.370394 (E_RNA) where: Base-Base interactions energy: -89.112 where: short stacking energy: -51.595 Base-Backbone interact. energy: 0.670 local terms energy: -55.927815 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -15.495 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -5.631 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: 263 Temperature: 1.200000 Total energy: -148.177072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.177072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.177072 (E_RNA) where: Base-Base interactions energy: -87.102 where: short stacking energy: -41.595 Base-Backbone interact. energy: -0.196 local terms energy: -60.878991 where: bonds (distance) C4'-P energy: -11.860 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -159.073556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.073556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.073556 (E_RNA) where: Base-Base interactions energy: -95.894 where: short stacking energy: -59.361 Base-Backbone interact. energy: 0.334 local terms energy: -63.513662 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -10.500 flat angles C4'-P-C4' energy: -17.100 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -16.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -81.966964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.966964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.966964 (E_RNA) where: Base-Base interactions energy: -37.537 where: short stacking energy: -33.437 Base-Backbone interact. energy: -0.355 local terms energy: -44.075008 where: bonds (distance) C4'-P energy: -16.706 bonds (distance) P-C4' energy: -11.486 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -4.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -96.542864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.542864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.542864 (E_RNA) where: Base-Base interactions energy: -47.490 where: short stacking energy: -31.735 Base-Backbone interact. energy: -0.568 local terms energy: -48.484731 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -6.041 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: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -177.395519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.395519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.395519 (E_RNA) where: Base-Base interactions energy: -100.989 where: short stacking energy: -58.335 Base-Backbone interact. energy: -0.251 local terms energy: -76.155265 where: bonds (distance) C4'-P energy: -16.919 bonds (distance) P-C4' energy: -17.435 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -12.619 tors. eta vs tors. theta energy: -14.664 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: 264 Temperature: 0.950000 Total energy: -185.182912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.182912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.182912 (E_RNA) where: Base-Base interactions energy: -114.405 where: short stacking energy: -66.318 Base-Backbone interact. energy: -0.001 local terms energy: -70.776633 where: bonds (distance) C4'-P energy: -15.548 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -19.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -171.088588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.088588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.088588 (E_RNA) where: Base-Base interactions energy: -106.025 where: short stacking energy: -65.075 Base-Backbone interact. energy: 0.828 local terms energy: -65.892041 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -7.772 tors. eta vs tors. theta energy: -15.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -176.651519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.651519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.651519 (E_RNA) where: Base-Base interactions energy: -104.103 where: short stacking energy: -64.537 Base-Backbone interact. energy: -0.095 local terms energy: -72.453546 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -16.025 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -16.729 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: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -162.012053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.012053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.012053 (E_RNA) where: Base-Base interactions energy: -97.721 where: short stacking energy: -55.595 Base-Backbone interact. energy: -0.249 local terms energy: -64.041621 where: bonds (distance) C4'-P energy: -9.471 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -12.811 tors. eta vs tors. theta energy: -11.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -158.245701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.245701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.245701 (E_RNA) where: Base-Base interactions energy: -93.432 where: short stacking energy: -53.651 Base-Backbone interact. energy: -0.031 local terms energy: -64.782591 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -12.952 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -12.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -155.054490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.054490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.054490 (E_RNA) where: Base-Base interactions energy: -95.743 where: short stacking energy: -41.832 Base-Backbone interact. energy: -0.173 local terms energy: -59.137915 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -9.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -144.374235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.374235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.374235 (E_RNA) where: Base-Base interactions energy: -77.903 where: short stacking energy: -30.614 Base-Backbone interact. energy: -0.603 local terms energy: -65.868201 where: bonds (distance) C4'-P energy: -14.351 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -16.302 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -10.376 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: 264 Temperature: 1.300000 Total energy: -81.011447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.011447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.011447 (E_RNA) where: Base-Base interactions energy: -23.077 where: short stacking energy: -23.077 Base-Backbone interact. energy: 1.659 local terms energy: -59.593636 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -17.535 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -5.409 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: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -77.196225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.196225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.196225 (E_RNA) where: Base-Base interactions energy: -25.998 where: short stacking energy: -25.998 Base-Backbone interact. energy: 0.047 local terms energy: -51.245131 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -18.064 flat angles C4'-P-C4' energy: -11.380 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -178.835562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.835562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.835562 (E_RNA) where: Base-Base interactions energy: -110.073 where: short stacking energy: -60.557 Base-Backbone interact. energy: -0.101 local terms energy: -68.661045 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -16.357 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -12.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -180.943707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.943707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.943707 (E_RNA) where: Base-Base interactions energy: -111.162 where: short stacking energy: -61.238 Base-Backbone interact. energy: -0.153 local terms energy: -69.629025 where: bonds (distance) C4'-P energy: -15.775 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -17.072 flat angles P-C4'-P energy: -7.459 tors. eta vs tors. theta energy: -13.571 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: 265 Temperature: 1.000000 Total energy: -183.317985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.317985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.317985 (E_RNA) where: Base-Base interactions energy: -130.433 where: short stacking energy: -61.112 Base-Backbone interact. energy: -0.313 local terms energy: -52.571221 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -10.499 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -166.316085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.316085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.316085 (E_RNA) where: Base-Base interactions energy: -100.096 where: short stacking energy: -58.000 Base-Backbone interact. energy: -0.054 local terms energy: -66.165582 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -17.228 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -178.658560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.658560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.658560 (E_RNA) where: Base-Base interactions energy: -113.035 where: short stacking energy: -44.983 Base-Backbone interact. energy: 2.162 local terms energy: -67.785357 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -17.403 flat angles P-C4'-P energy: -11.724 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -160.682256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.682256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.682256 (E_RNA) where: Base-Base interactions energy: -97.975 where: short stacking energy: -55.871 Base-Backbone interact. energy: -0.471 local terms energy: -62.236300 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -15.073 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -14.555 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: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -143.631173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.631173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.631173 (E_RNA) where: Base-Base interactions energy: -87.967 where: short stacking energy: -38.798 Base-Backbone interact. energy: -0.088 local terms energy: -55.576322 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -152.116712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.116712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.116712 (E_RNA) where: Base-Base interactions energy: -84.002 where: short stacking energy: -42.481 Base-Backbone interact. energy: -0.027 local terms energy: -68.087191 where: bonds (distance) C4'-P energy: -15.522 bonds (distance) P-C4' energy: -18.852 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -10.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -97.866837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.866837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.866837 (E_RNA) where: Base-Base interactions energy: -46.551 where: short stacking energy: -33.827 Base-Backbone interact. energy: -0.587 local terms energy: -50.729604 where: bonds (distance) C4'-P energy: -16.674 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -5.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -77.975044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.975044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.975044 (E_RNA) where: Base-Base interactions energy: -28.709 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.880 local terms energy: -48.385982 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -18.168 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -182.090642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.090642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.090642 (E_RNA) where: Base-Base interactions energy: -112.506 where: short stacking energy: -66.998 Base-Backbone interact. energy: -0.094 local terms energy: -69.490128 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -15.805 flat angles P-C4'-P energy: -11.795 tors. eta vs tors. theta energy: -15.258 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: 2, replica: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -181.066465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.066465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.066465 (E_RNA) where: Base-Base interactions energy: -108.824 where: short stacking energy: -64.043 Base-Backbone interact. energy: -0.038 local terms energy: -72.204243 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -17.789 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -14.681 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: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -182.250025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.250025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.250025 (E_RNA) where: Base-Base interactions energy: -122.750 where: short stacking energy: -58.343 Base-Backbone interact. energy: -0.958 local terms energy: -58.541652 where: bonds (distance) C4'-P energy: -16.214 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -8.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -168.449317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.449317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.449317 (E_RNA) where: Base-Base interactions energy: -102.151 where: short stacking energy: -62.084 Base-Backbone interact. energy: -0.034 local terms energy: -66.264534 where: bonds (distance) C4'-P energy: -17.043 bonds (distance) P-C4' energy: -10.156 flat angles C4'-P-C4' energy: -16.746 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -15.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -160.429292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.429292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.429292 (E_RNA) where: Base-Base interactions energy: -106.187 where: short stacking energy: -54.255 Base-Backbone interact. energy: -0.327 local terms energy: -53.914781 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -10.834 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -161.444278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.444278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.444278 (E_RNA) where: Base-Base interactions energy: -108.993 where: short stacking energy: -53.336 Base-Backbone interact. energy: 0.661 local terms energy: -53.111430 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -13.058 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: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -155.583687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.583687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.583687 (E_RNA) where: Base-Base interactions energy: -97.511 where: short stacking energy: -47.146 Base-Backbone interact. energy: -0.712 local terms energy: -57.360360 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -8.762 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -13.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -145.055647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.055647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.055647 (E_RNA) where: Base-Base interactions energy: -89.264 where: short stacking energy: -42.751 Base-Backbone interact. energy: -0.108 local terms energy: -55.684364 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -15.109 flat angles C4'-P-C4' energy: -10.924 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -84.396183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.396183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.396183 (E_RNA) where: Base-Base interactions energy: -41.037 where: short stacking energy: -22.545 Base-Backbone interact. energy: -0.433 local terms energy: -42.926195 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: 2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -82.500646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.500646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.500646 (E_RNA) where: Base-Base interactions energy: -34.884 where: short stacking energy: -34.597 Base-Backbone interact. energy: -0.336 local terms energy: -47.280405 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -3.009 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: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -180.221291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.221291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.221291 (E_RNA) where: Base-Base interactions energy: -108.431 where: short stacking energy: -71.381 Base-Backbone interact. energy: -0.179 local terms energy: -71.611796 where: bonds (distance) C4'-P energy: -15.994 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -11.989 tors. eta vs tors. theta energy: -13.951 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: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -205.122989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.122989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.122989 (E_RNA) where: Base-Base interactions energy: -141.332 where: short stacking energy: -64.228 Base-Backbone interact. energy: 0.990 local terms energy: -64.781268 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -17.470 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -13.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -174.886808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.886808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.886808 (E_RNA) where: Base-Base interactions energy: -99.499 where: short stacking energy: -53.907 Base-Backbone interact. energy: -0.025 local terms energy: -75.363088 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -16.959 flat angles P-C4'-P energy: -11.579 tors. eta vs tors. theta energy: -15.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -161.334269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.334269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.334269 (E_RNA) where: Base-Base interactions energy: -104.385 where: short stacking energy: -38.106 Base-Backbone interact. energy: -0.372 local terms energy: -56.577830 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -154.294419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.294419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.294419 (E_RNA) where: Base-Base interactions energy: -96.008 where: short stacking energy: -54.580 Base-Backbone interact. energy: -0.320 local terms energy: -57.967024 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -16.010 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -172.124755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.124755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.124755 (E_RNA) where: Base-Base interactions energy: -113.692 where: short stacking energy: -54.805 Base-Backbone interact. energy: -0.111 local terms energy: -58.321627 where: bonds (distance) C4'-P energy: -14.985 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -13.870 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: 267 Temperature: 1.200000 Total energy: -152.559452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.559452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.559452 (E_RNA) where: Base-Base interactions energy: -93.131 where: short stacking energy: -48.839 Base-Backbone interact. energy: -0.087 local terms energy: -59.340952 where: bonds (distance) C4'-P energy: -16.441 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -11.694 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -12.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -148.938996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.938996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.938996 (E_RNA) where: Base-Base interactions energy: -89.905 where: short stacking energy: -42.727 Base-Backbone interact. energy: -0.398 local terms energy: -58.635654 where: bonds (distance) C4'-P energy: -17.940 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -9.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -90.797333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.797333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.797333 (E_RNA) where: Base-Base interactions energy: -33.045 where: short stacking energy: -33.045 Base-Backbone interact. energy: 0.030 local terms energy: -57.782607 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -8.654 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: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -83.284900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.284900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.284900 (E_RNA) where: Base-Base interactions energy: -27.555 where: short stacking energy: -19.392 Base-Backbone interact. energy: -1.486 local terms energy: -54.244071 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -7.740 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -210.791472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.791472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.791472 (E_RNA) where: Base-Base interactions energy: -139.865 where: short stacking energy: -66.258 Base-Backbone interact. energy: -0.012 local terms energy: -70.914382 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -18.197 flat angles C4'-P-C4' energy: -15.912 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -16.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -193.652191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.652191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.652191 (E_RNA) where: Base-Base interactions energy: -118.986 where: short stacking energy: -67.380 Base-Backbone interact. energy: 1.694 local terms energy: -76.360263 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -16.050 flat angles C4'-P-C4' energy: -16.923 flat angles P-C4'-P energy: -11.520 tors. eta vs tors. theta energy: -16.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -163.708235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.708235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.708235 (E_RNA) where: Base-Base interactions energy: -98.944 where: short stacking energy: -49.895 Base-Backbone interact. energy: -0.128 local terms energy: -64.636481 where: bonds (distance) C4'-P energy: -16.272 bonds (distance) P-C4' energy: -16.586 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -11.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -166.496852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.496852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.496852 (E_RNA) where: Base-Base interactions energy: -106.377 where: short stacking energy: -49.519 Base-Backbone interact. energy: -0.099 local terms energy: -60.020454 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -9.737 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: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -147.335815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.335815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.335815 (E_RNA) where: Base-Base interactions energy: -88.498 where: short stacking energy: -44.691 Base-Backbone interact. energy: -0.233 local terms energy: -58.604775 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -10.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -150.370857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.370857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.370857 (E_RNA) where: Base-Base interactions energy: -91.993 where: short stacking energy: -51.005 Base-Backbone interact. energy: -0.003 local terms energy: -58.374398 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -13.351 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -7.823 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -155.627714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.627714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.627714 (E_RNA) where: Base-Base interactions energy: -94.714 where: short stacking energy: -53.571 Base-Backbone interact. energy: -0.264 local terms energy: -60.648975 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.928 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -11.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -144.691029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.691029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.691029 (E_RNA) where: Base-Base interactions energy: -83.705 where: short stacking energy: -45.214 Base-Backbone interact. energy: -0.100 local terms energy: -60.886704 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -10.658 tors. eta vs tors. theta energy: -9.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -84.632252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.632252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.632252 (E_RNA) where: Base-Base interactions energy: -33.029 where: short stacking energy: -33.029 Base-Backbone interact. energy: -0.020 local terms energy: -51.583647 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: -9.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -81.608036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.608036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.608036 (E_RNA) where: Base-Base interactions energy: -32.222 where: short stacking energy: -31.374 Base-Backbone interact. energy: -0.026 local terms energy: -49.360536 where: bonds (distance) C4'-P energy: -10.004 bonds (distance) P-C4' energy: -18.101 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -0.673 tors. eta vs tors. theta energy: -5.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -217.822160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.822160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.822160 (E_RNA) where: Base-Base interactions energy: -144.609 where: short stacking energy: -65.410 Base-Backbone interact. energy: -0.090 local terms energy: -73.123069 where: bonds (distance) C4'-P energy: -16.359 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -15.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -190.123415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.123415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.123415 (E_RNA) where: Base-Base interactions energy: -116.729 where: short stacking energy: -65.903 Base-Backbone interact. energy: -0.028 local terms energy: -73.366257 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -16.662 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -19.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -171.628591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.628591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.628591 (E_RNA) where: Base-Base interactions energy: -100.868 where: short stacking energy: -57.823 Base-Backbone interact. energy: -0.001 local terms energy: -70.759742 where: bonds (distance) C4'-P energy: -12.295 bonds (distance) P-C4' energy: -15.982 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -18.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -172.268701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.268701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.268701 (E_RNA) where: Base-Base interactions energy: -111.909 where: short stacking energy: -59.075 Base-Backbone interact. energy: 0.425 local terms energy: -60.784328 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -15.969 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -11.334 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: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -143.370203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.370203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.370203 (E_RNA) where: Base-Base interactions energy: -84.650 where: short stacking energy: -37.431 Base-Backbone interact. energy: -0.242 local terms energy: -58.478680 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -13.661 flat angles C4'-P-C4' energy: -12.337 flat angles P-C4'-P energy: -11.678 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -157.562436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.562436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.562436 (E_RNA) where: Base-Base interactions energy: -98.769 where: short stacking energy: -50.819 Base-Backbone interact. energy: -0.056 local terms energy: -58.737750 where: bonds (distance) C4'-P energy: -14.700 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -10.557 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -150.719275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.719275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.719275 (E_RNA) where: Base-Base interactions energy: -87.852 where: short stacking energy: -39.414 Base-Backbone interact. energy: -0.439 local terms energy: -62.428274 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -17.175 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -10.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -149.626665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.626665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.626665 (E_RNA) where: Base-Base interactions energy: -92.820 where: short stacking energy: -49.937 Base-Backbone interact. energy: -0.091 local terms energy: -56.716476 where: bonds (distance) C4'-P energy: -8.928 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -80.206026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.206026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.206026 (E_RNA) where: Base-Base interactions energy: -32.583 where: short stacking energy: -23.460 Base-Backbone interact. energy: -0.461 local terms energy: -47.162694 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -16.595 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -10.077 tors. eta vs tors. theta energy: 1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -78.274048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.274048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.274048 (E_RNA) where: Base-Base interactions energy: -30.560 where: short stacking energy: -26.058 Base-Backbone interact. energy: -0.380 local terms energy: -47.334613 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -200.994535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.994535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.994535 (E_RNA) where: Base-Base interactions energy: -126.267 where: short stacking energy: -75.137 Base-Backbone interact. energy: -0.117 local terms energy: -74.610699 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -12.922 flat angles C4'-P-C4' energy: -15.954 flat angles P-C4'-P energy: -12.631 tors. eta vs tors. theta energy: -18.539 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: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -207.747947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.747947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.747947 (E_RNA) where: Base-Base interactions energy: -134.311 where: short stacking energy: -68.996 Base-Backbone interact. energy: -0.014 local terms energy: -73.422848 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -21.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -164.485321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.485321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.485321 (E_RNA) where: Base-Base interactions energy: -102.994 where: short stacking energy: -61.011 Base-Backbone interact. energy: -0.006 local terms energy: -61.485249 where: bonds (distance) C4'-P energy: -16.520 bonds (distance) P-C4' energy: -13.185 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -13.908 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: 7 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -166.486343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.486343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.486343 (E_RNA) where: Base-Base interactions energy: -100.997 where: short stacking energy: -56.754 Base-Backbone interact. energy: -0.121 local terms energy: -65.367700 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -12.514 tors. eta vs tors. theta energy: -13.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -201.380470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.380470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.380470 (E_RNA) where: Base-Base interactions energy: -127.874 where: short stacking energy: -62.744 Base-Backbone interact. energy: -0.032 local terms energy: -73.474271 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -12.649 flat angles P-C4'-P energy: -11.099 tors. eta vs tors. theta energy: -19.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -163.863628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.863628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.863628 (E_RNA) where: Base-Base interactions energy: -95.833 where: short stacking energy: -40.820 Base-Backbone interact. energy: -0.054 local terms energy: -67.977130 where: bonds (distance) C4'-P energy: -16.131 bonds (distance) P-C4' energy: -16.311 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -11.969 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: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -148.248748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.248748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.248748 (E_RNA) where: Base-Base interactions energy: -89.359 where: short stacking energy: -45.392 Base-Backbone interact. energy: -0.079 local terms energy: -58.810998 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -16.089 flat angles C4'-P-C4' energy: -15.130 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -148.487026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.487026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.487026 (E_RNA) where: Base-Base interactions energy: -89.459 where: short stacking energy: -44.899 Base-Backbone interact. energy: 1.739 local terms energy: -60.766724 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -16.395 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -93.948464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.948464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.948464 (E_RNA) where: Base-Base interactions energy: -32.888 where: short stacking energy: -32.888 Base-Backbone interact. energy: -0.637 local terms energy: -60.423550 where: bonds (distance) C4'-P energy: -16.074 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -17.347 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -76.575593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.575593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.575593 (E_RNA) where: Base-Base interactions energy: -36.290 where: short stacking energy: -28.266 Base-Backbone interact. energy: -0.103 local terms energy: -40.183203 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -10.237 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: 4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -205.102224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.102224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.102224 (E_RNA) where: Base-Base interactions energy: -127.172 where: short stacking energy: -72.798 Base-Backbone interact. energy: -0.030 local terms energy: -77.900286 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -20.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -187.945370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.945370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.945370 (E_RNA) where: Base-Base interactions energy: -120.731 where: short stacking energy: -62.039 Base-Backbone interact. energy: -0.119 local terms energy: -67.095890 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -11.516 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -12.851 tors. eta vs tors. theta energy: -13.778 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: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -174.047044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.047044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.047044 (E_RNA) where: Base-Base interactions energy: -103.021 where: short stacking energy: -63.453 Base-Backbone interact. energy: -0.159 local terms energy: -70.867146 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -16.828 flat angles C4'-P-C4' energy: -14.978 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -15.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -195.811542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.811542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.811542 (E_RNA) where: Base-Base interactions energy: -130.336 where: short stacking energy: -53.924 Base-Backbone interact. energy: -0.124 local terms energy: -65.351454 where: bonds (distance) C4'-P energy: -16.643 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -13.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -175.539223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.539223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.539223 (E_RNA) where: Base-Base interactions energy: -108.889 where: short stacking energy: -62.932 Base-Backbone interact. energy: -0.048 local terms energy: -66.603018 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -16.421 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -14.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -152.767241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.767241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.767241 (E_RNA) where: Base-Base interactions energy: -98.244 where: short stacking energy: -57.439 Base-Backbone interact. energy: -0.032 local terms energy: -54.491343 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -11.429 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -12.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -154.351342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.351342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.351342 (E_RNA) where: Base-Base interactions energy: -94.515 where: short stacking energy: -48.422 Base-Backbone interact. energy: 4.047 local terms energy: -63.883317 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -17.430 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -145.337204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.337204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.337204 (E_RNA) where: Base-Base interactions energy: -81.617 where: short stacking energy: -42.694 Base-Backbone interact. energy: 0.322 local terms energy: -64.042328 where: bonds (distance) C4'-P energy: -13.085 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -13.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -83.660938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.660938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.660938 (E_RNA) where: Base-Base interactions energy: -44.872 where: short stacking energy: -24.263 Base-Backbone interact. energy: -0.183 local terms energy: -38.605814 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -14.304 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: 4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -86.532474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.532474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.532474 (E_RNA) where: Base-Base interactions energy: -46.783 where: short stacking energy: -28.608 Base-Backbone interact. energy: -0.296 local terms energy: -39.453449 where: bonds (distance) C4'-P energy: -8.882 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -10.056 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -214.095341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.095341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.095341 (E_RNA) where: Base-Base interactions energy: -137.515 where: short stacking energy: -61.334 Base-Backbone interact. energy: 0.392 local terms energy: -76.972366 where: bonds (distance) C4'-P energy: -17.195 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -17.604 flat angles P-C4'-P energy: -12.020 tors. eta vs tors. theta energy: -15.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -171.172285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.172285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.172285 (E_RNA) where: Base-Base interactions energy: -110.239 where: short stacking energy: -55.906 Base-Backbone interact. energy: -0.101 local terms energy: -60.832930 where: bonds (distance) C4'-P energy: -13.370 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -8.876 tors. eta vs tors. theta energy: -10.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -180.880916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.880916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.880916 (E_RNA) where: Base-Base interactions energy: -107.726 where: short stacking energy: -65.423 Base-Backbone interact. energy: -0.001 local terms energy: -73.153071 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -10.898 tors. eta vs tors. theta energy: -18.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -164.596195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.596195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.596195 (E_RNA) where: Base-Base interactions energy: -100.965 where: short stacking energy: -52.940 Base-Backbone interact. energy: -0.021 local terms energy: -63.609691 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -10.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -159.279201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.279201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.279201 (E_RNA) where: Base-Base interactions energy: -100.056 where: short stacking energy: -54.627 Base-Backbone interact. energy: -0.656 local terms energy: -58.567915 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -11.519 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -11.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -154.776817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.776817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.776817 (E_RNA) where: Base-Base interactions energy: -93.384 where: short stacking energy: -36.378 Base-Backbone interact. energy: -0.763 local terms energy: -60.630131 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -7.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -141.264929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.264929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.264929 (E_RNA) where: Base-Base interactions energy: -86.877 where: short stacking energy: -35.540 Base-Backbone interact. energy: 1.597 local terms energy: -55.984602 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -12.711 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -7.200 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: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -149.835355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.835355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.835355 (E_RNA) where: Base-Base interactions energy: -84.911 where: short stacking energy: -43.437 Base-Backbone interact. energy: -0.012 local terms energy: -64.912046 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -18.238 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -10.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -86.672619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.672619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.672619 (E_RNA) where: Base-Base interactions energy: -35.473 where: short stacking energy: -35.473 Base-Backbone interact. energy: -0.093 local terms energy: -51.106739 where: bonds (distance) C4'-P energy: -8.439 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -8.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -75.691691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.691691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.691691 (E_RNA) where: Base-Base interactions energy: -26.284 where: short stacking energy: -24.616 Base-Backbone interact. energy: -0.222 local terms energy: -49.185871 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -9.328 flat angles C4'-P-C4' energy: -16.847 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -212.798945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.798945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.798945 (E_RNA) where: Base-Base interactions energy: -137.831 where: short stacking energy: -67.312 Base-Backbone interact. energy: -0.226 local terms energy: -74.742202 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -16.257 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -17.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -191.122907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.122907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.122907 (E_RNA) where: Base-Base interactions energy: -118.243 where: short stacking energy: -65.330 Base-Backbone interact. energy: -0.047 local terms energy: -72.833098 where: bonds (distance) C4'-P energy: -15.100 bonds (distance) P-C4' energy: -17.393 flat angles C4'-P-C4' energy: -16.492 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -16.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -164.444482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.444482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.444482 (E_RNA) where: Base-Base interactions energy: -99.886 where: short stacking energy: -51.087 Base-Backbone interact. energy: 1.178 local terms energy: -65.736919 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -13.192 tors. eta vs tors. theta energy: -7.606 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: 4, replica: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -169.259871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.259871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.259871 (E_RNA) where: Base-Base interactions energy: -102.453 where: short stacking energy: -50.175 Base-Backbone interact. energy: -0.193 local terms energy: -66.613299 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -13.937 tors. eta vs tors. theta energy: -9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -170.017012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.017012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.017012 (E_RNA) where: Base-Base interactions energy: -110.876 where: short stacking energy: -50.730 Base-Backbone interact. energy: 0.777 local terms energy: -59.917378 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: -7.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -144.568177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.568177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.568177 (E_RNA) where: Base-Base interactions energy: -80.862 where: short stacking energy: -38.149 Base-Backbone interact. energy: -0.058 local terms energy: -63.647940 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -16.993 flat angles P-C4'-P energy: -12.701 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -155.499114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.499114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.499114 (E_RNA) where: Base-Base interactions energy: -95.234 where: short stacking energy: -48.502 Base-Backbone interact. energy: -0.097 local terms energy: -60.168306 where: bonds (distance) C4'-P energy: -9.707 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -14.321 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -9.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -141.609952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.609952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.609952 (E_RNA) where: Base-Base interactions energy: -79.687 where: short stacking energy: -37.593 Base-Backbone interact. energy: -0.142 local terms energy: -61.780502 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -14.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -85.209739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.209739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.209739 (E_RNA) where: Base-Base interactions energy: -26.856 where: short stacking energy: -26.856 Base-Backbone interact. energy: -0.001 local terms energy: -58.351872 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -13.586 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -12.731 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -80.861439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.861439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.861439 (E_RNA) where: Base-Base interactions energy: -28.608 where: short stacking energy: -28.608 Base-Backbone interact. energy: -0.103 local terms energy: -52.150722 where: bonds (distance) C4'-P energy: -13.619 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -3.530 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: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -210.476088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.476088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.476088 (E_RNA) where: Base-Base interactions energy: -140.486 where: short stacking energy: -60.750 Base-Backbone interact. energy: 0.215 local terms energy: -70.205447 where: bonds (distance) C4'-P energy: -15.188 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -12.468 tors. eta vs tors. theta energy: -14.060 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: 2, replica: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -184.908604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.908604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.908604 (E_RNA) where: Base-Base interactions energy: -115.141 where: short stacking energy: -66.254 Base-Backbone interact. energy: -1.374 local terms energy: -68.393401 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -13.294 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -17.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -181.559661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.559661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.559661 (E_RNA) where: Base-Base interactions energy: -110.401 where: short stacking energy: -63.461 Base-Backbone interact. energy: -0.024 local terms energy: -71.134777 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -16.181 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -15.555 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: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -165.119374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.119374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.119374 (E_RNA) where: Base-Base interactions energy: -109.949 where: short stacking energy: -51.352 Base-Backbone interact. energy: -0.083 local terms energy: -55.086979 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -154.282978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.282978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.282978 (E_RNA) where: Base-Base interactions energy: -92.270 where: short stacking energy: -49.311 Base-Backbone interact. energy: -0.221 local terms energy: -61.792215 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -12.968 tors. eta vs tors. theta energy: -7.531 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: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -159.170742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.170742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.170742 (E_RNA) where: Base-Base interactions energy: -104.108 where: short stacking energy: -58.501 Base-Backbone interact. energy: -0.003 local terms energy: -55.059998 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -7.849 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -13.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -150.734659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.734659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.734659 (E_RNA) where: Base-Base interactions energy: -86.787 where: short stacking energy: -48.089 Base-Backbone interact. energy: 0.222 local terms energy: -64.169674 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -9.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -139.411035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.411035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.411035 (E_RNA) where: Base-Base interactions energy: -89.088 where: short stacking energy: -42.378 Base-Backbone interact. energy: -0.055 local terms energy: -50.268004 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -5.510 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: 6 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -82.141122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.141122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.141122 (E_RNA) where: Base-Base interactions energy: -34.140 where: short stacking energy: -31.539 Base-Backbone interact. energy: -0.052 local terms energy: -47.949280 where: bonds (distance) C4'-P energy: -16.828 bonds (distance) P-C4' energy: -15.649 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: 0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -89.284308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.284308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.284308 (E_RNA) where: Base-Base interactions energy: -42.118 where: short stacking energy: -35.264 Base-Backbone interact. energy: -0.100 local terms energy: -47.065755 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -10.424 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -212.439588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.439588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.439588 (E_RNA) where: Base-Base interactions energy: -139.073 where: short stacking energy: -67.560 Base-Backbone interact. energy: -0.286 local terms energy: -73.080953 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -16.744 flat angles C4'-P-C4' energy: -17.476 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -19.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -179.934920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.934920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.934920 (E_RNA) where: Base-Base interactions energy: -104.765 where: short stacking energy: -55.806 Base-Backbone interact. energy: -0.126 local terms energy: -75.043580 where: bonds (distance) C4'-P energy: -15.721 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -17.278 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -19.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -171.242224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.242224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.242224 (E_RNA) where: Base-Base interactions energy: -104.623 where: short stacking energy: -62.263 Base-Backbone interact. energy: -0.095 local terms energy: -66.524513 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -16.922 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -14.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -162.795784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.795784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.795784 (E_RNA) where: Base-Base interactions energy: -90.840 where: short stacking energy: -52.169 Base-Backbone interact. energy: -0.015 local terms energy: -71.941344 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -16.499 flat angles C4'-P-C4' energy: -15.631 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -13.661 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: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -154.716127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.716127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.716127 (E_RNA) where: Base-Base interactions energy: -93.026 where: short stacking energy: -46.879 Base-Backbone interact. energy: -0.114 local terms energy: -61.576152 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -10.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -166.836452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.836452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.836452 (E_RNA) where: Base-Base interactions energy: -104.203 where: short stacking energy: -66.686 Base-Backbone interact. energy: -0.887 local terms energy: -61.746384 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -11.624 flat angles C4'-P-C4' energy: -14.803 flat angles P-C4'-P energy: -7.160 tors. eta vs tors. theta energy: -16.596 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: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -142.896946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.896946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.896946 (E_RNA) where: Base-Base interactions energy: -82.808 where: short stacking energy: -47.339 Base-Backbone interact. energy: -0.298 local terms energy: -59.791540 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -8.001 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: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -150.692378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.692378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.692378 (E_RNA) where: Base-Base interactions energy: -94.122 where: short stacking energy: -53.667 Base-Backbone interact. energy: -0.005 local terms energy: -56.564953 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -93.948351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.948351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.948351 (E_RNA) where: Base-Base interactions energy: -43.229 where: short stacking energy: -39.847 Base-Backbone interact. energy: -0.510 local terms energy: -50.209275 where: bonds (distance) C4'-P energy: -8.877 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -5.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -71.895733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.895733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.895733 (E_RNA) where: Base-Base interactions energy: -24.414 where: short stacking energy: -21.134 Base-Backbone interact. energy: -0.343 local terms energy: -47.138701 where: bonds (distance) C4'-P energy: -9.835 bonds (distance) P-C4' energy: -14.401 flat angles C4'-P-C4' energy: -10.688 flat angles P-C4'-P energy: -11.139 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -212.425557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.425557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.425557 (E_RNA) where: Base-Base interactions energy: -143.532 where: short stacking energy: -66.306 Base-Backbone interact. energy: -0.108 local terms energy: -68.785994 where: bonds (distance) C4'-P energy: -9.982 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -17.646 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -18.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -173.681985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.681985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.681985 (E_RNA) where: Base-Base interactions energy: -102.836 where: short stacking energy: -55.229 Base-Backbone interact. energy: -0.325 local terms energy: -70.521144 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -16.289 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -13.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -194.491420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.491420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.491420 (E_RNA) where: Base-Base interactions energy: -113.557 where: short stacking energy: -69.956 Base-Backbone interact. energy: -0.247 local terms energy: -80.687427 where: bonds (distance) C4'-P energy: -16.472 bonds (distance) P-C4' energy: -16.504 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -19.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -158.902923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.902923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.902923 (E_RNA) where: Base-Base interactions energy: -91.592 where: short stacking energy: -48.144 Base-Backbone interact. energy: 0.285 local terms energy: -67.596060 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -14.787 flat angles P-C4'-P energy: -13.032 tors. eta vs tors. theta energy: -9.761 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: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -158.243634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.243634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.243634 (E_RNA) where: Base-Base interactions energy: -92.681 where: short stacking energy: -45.449 Base-Backbone interact. energy: -0.247 local terms energy: -65.315039 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -11.416 tors. eta vs tors. theta energy: -9.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -156.885627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.885627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.885627 (E_RNA) where: Base-Base interactions energy: -93.059 where: short stacking energy: -51.811 Base-Backbone interact. energy: -0.005 local terms energy: -63.821902 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -17.921 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -11.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -160.902732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.902732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.902732 (E_RNA) where: Base-Base interactions energy: -98.327 where: short stacking energy: -49.835 Base-Backbone interact. energy: -0.024 local terms energy: -62.552053 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -15.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -153.836725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.836725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.836725 (E_RNA) where: Base-Base interactions energy: -89.620 where: short stacking energy: -50.647 Base-Backbone interact. energy: -0.222 local terms energy: -63.993872 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -16.007 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -10.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -87.307485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.307485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.307485 (E_RNA) where: Base-Base interactions energy: -34.569 where: short stacking energy: -32.412 Base-Backbone interact. energy: -0.270 local terms energy: -52.468385 where: bonds (distance) C4'-P energy: -10.056 bonds (distance) P-C4' energy: -14.785 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -71.454152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.454152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.454152 (E_RNA) where: Base-Base interactions energy: -23.715 where: short stacking energy: -23.715 Base-Backbone interact. energy: -0.382 local terms energy: -47.357054 where: bonds (distance) C4'-P energy: -11.408 bonds (distance) P-C4' energy: -16.142 flat angles C4'-P-C4' energy: -2.937 flat angles P-C4'-P energy: -11.465 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -214.588850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.588850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.588850 (E_RNA) where: Base-Base interactions energy: -143.120 where: short stacking energy: -68.727 Base-Backbone interact. energy: -0.577 local terms energy: -70.891027 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -18.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -193.620322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.620322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.620322 (E_RNA) where: Base-Base interactions energy: -120.505 where: short stacking energy: -67.470 Base-Backbone interact. energy: -0.109 local terms energy: -73.005514 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -16.790 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -17.517 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: 277 Temperature: 1.000000 Total energy: -165.607759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.607759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.607759 (E_RNA) where: Base-Base interactions energy: -100.625 where: short stacking energy: -50.354 Base-Backbone interact. energy: -0.198 local terms energy: -64.785204 where: bonds (distance) C4'-P energy: -14.070 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -15.758 flat angles P-C4'-P energy: -10.771 tors. eta vs tors. theta energy: -15.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -168.999578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.999578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.999578 (E_RNA) where: Base-Base interactions energy: -105.828 where: short stacking energy: -52.487 Base-Backbone interact. energy: -0.093 local terms energy: -63.078655 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -15.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -167.376600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.376600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.376600 (E_RNA) where: Base-Base interactions energy: -110.046 where: short stacking energy: -53.848 Base-Backbone interact. energy: -0.023 local terms energy: -57.306826 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -10.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -157.817502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.817502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.817502 (E_RNA) where: Base-Base interactions energy: -95.280 where: short stacking energy: -47.675 Base-Backbone interact. energy: -0.126 local terms energy: -62.411668 where: bonds (distance) C4'-P energy: -16.731 bonds (distance) P-C4' energy: -14.954 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -8.533 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: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -148.586307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.586307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.586307 (E_RNA) where: Base-Base interactions energy: -83.944 where: short stacking energy: -46.395 Base-Backbone interact. energy: -0.432 local terms energy: -64.210257 where: bonds (distance) C4'-P energy: -14.401 bonds (distance) P-C4' energy: -15.669 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -149.132889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.132889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.132889 (E_RNA) where: Base-Base interactions energy: -90.430 where: short stacking energy: -49.480 Base-Backbone interact. energy: -0.176 local terms energy: -58.526345 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -12.221 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -7.570 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: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -93.797447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.797447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.797447 (E_RNA) where: Base-Base interactions energy: -34.489 where: short stacking energy: -34.489 Base-Backbone interact. energy: -0.170 local terms energy: -59.138768 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -14.767 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -83.935087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.935087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.935087 (E_RNA) where: Base-Base interactions energy: -33.589 where: short stacking energy: -30.341 Base-Backbone interact. energy: -0.031 local terms energy: -50.315268 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -5.945 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: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -188.865813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.865813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.865813 (E_RNA) where: Base-Base interactions energy: -108.421 where: short stacking energy: -62.043 Base-Backbone interact. energy: -0.090 local terms energy: -80.354973 where: bonds (distance) C4'-P energy: -16.578 bonds (distance) P-C4' energy: -17.320 flat angles C4'-P-C4' energy: -16.041 flat angles P-C4'-P energy: -11.121 tors. eta vs tors. theta energy: -19.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -192.979831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.979831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.979831 (E_RNA) where: Base-Base interactions energy: -122.604 where: short stacking energy: -56.041 Base-Backbone interact. energy: 0.337 local terms energy: -70.712113 where: bonds (distance) C4'-P energy: -15.056 bonds (distance) P-C4' energy: -14.802 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -9.969 tors. eta vs tors. theta energy: -14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -175.846523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.846523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.846523 (E_RNA) where: Base-Base interactions energy: -108.563 where: short stacking energy: -52.642 Base-Backbone interact. energy: -0.203 local terms energy: -67.080127 where: bonds (distance) C4'-P energy: -14.720 bonds (distance) P-C4' energy: -17.241 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -11.584 tors. eta vs tors. theta energy: -10.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -166.307436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.307436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.307436 (E_RNA) where: Base-Base interactions energy: -107.416 where: short stacking energy: -56.174 Base-Backbone interact. energy: -0.425 local terms energy: -58.466873 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -11.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -169.797598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.797598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.797598 (E_RNA) where: Base-Base interactions energy: -96.552 where: short stacking energy: -54.743 Base-Backbone interact. energy: -0.101 local terms energy: -73.144299 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -18.366 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -150.370763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.370763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.370763 (E_RNA) where: Base-Base interactions energy: -86.898 where: short stacking energy: -44.293 Base-Backbone interact. energy: -0.112 local terms energy: -63.360832 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -16.262 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -158.557720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.557720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.557720 (E_RNA) where: Base-Base interactions energy: -98.032 where: short stacking energy: -45.900 Base-Backbone interact. energy: 2.214 local terms energy: -62.739878 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -15.314 flat angles C4'-P-C4' energy: -15.235 flat angles P-C4'-P energy: -11.673 tors. eta vs tors. theta energy: -6.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -141.722676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.722676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.722676 (E_RNA) where: Base-Base interactions energy: -89.993 where: short stacking energy: -43.564 Base-Backbone interact. energy: -0.197 local terms energy: -51.533068 where: bonds (distance) C4'-P energy: -10.641 bonds (distance) P-C4' energy: -14.672 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -5.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -83.948575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.948575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.948575 (E_RNA) where: Base-Base interactions energy: -28.395 where: short stacking energy: -22.091 Base-Backbone interact. energy: 3.724 local terms energy: -59.278145 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -14.805 flat angles C4'-P-C4' energy: -17.885 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -87.086372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.086372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.086372 (E_RNA) where: Base-Base interactions energy: -31.408 where: short stacking energy: -31.295 Base-Backbone interact. energy: -0.231 local terms energy: -55.446538 where: bonds (distance) C4'-P energy: -15.589 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -17.268 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -201.479916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.479916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.479916 (E_RNA) where: Base-Base interactions energy: -135.909 where: short stacking energy: -62.863 Base-Backbone interact. energy: 0.282 local terms energy: -65.852732 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -15.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -190.138493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.138493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.138493 (E_RNA) where: Base-Base interactions energy: -115.890 where: short stacking energy: -66.808 Base-Backbone interact. energy: 0.055 local terms energy: -74.303556 where: bonds (distance) C4'-P energy: -16.325 bonds (distance) P-C4' energy: -18.715 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -181.376235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.376235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.376235 (E_RNA) where: Base-Base interactions energy: -106.456 where: short stacking energy: -60.823 Base-Backbone interact. energy: -0.163 local terms energy: -74.756657 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -18.630 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -18.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -164.885096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.885096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.885096 (E_RNA) where: Base-Base interactions energy: -94.498 where: short stacking energy: -51.398 Base-Backbone interact. energy: 0.532 local terms energy: -70.919024 where: bonds (distance) C4'-P energy: -16.946 bonds (distance) P-C4' energy: -17.185 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -11.948 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -159.831674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.831674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.831674 (E_RNA) where: Base-Base interactions energy: -96.194 where: short stacking energy: -50.495 Base-Backbone interact. energy: -0.066 local terms energy: -63.572127 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -12.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -152.220927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.220927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.220927 (E_RNA) where: Base-Base interactions energy: -97.636 where: short stacking energy: -51.332 Base-Backbone interact. energy: -0.010 local terms energy: -54.574763 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -152.627290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.627290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.627290 (E_RNA) where: Base-Base interactions energy: -95.976 where: short stacking energy: -42.297 Base-Backbone interact. energy: -0.140 local terms energy: -56.511256 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -10.597 flat angles C4'-P-C4' energy: -14.956 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -8.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -155.596176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.596176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.596176 (E_RNA) where: Base-Base interactions energy: -93.090 where: short stacking energy: -49.383 Base-Backbone interact. energy: -0.436 local terms energy: -62.070101 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -17.939 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -10.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -87.425233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.425233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.425233 (E_RNA) where: Base-Base interactions energy: -33.018 where: short stacking energy: -19.820 Base-Backbone interact. energy: -0.045 local terms energy: -54.361892 where: bonds (distance) C4'-P energy: -15.907 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -10.611 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -75.401511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.401511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.401511 (E_RNA) where: Base-Base interactions energy: -29.279 where: short stacking energy: -28.031 Base-Backbone interact. energy: -0.018 local terms energy: -46.105119 where: bonds (distance) C4'-P energy: -9.123 bonds (distance) P-C4' energy: -11.638 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -11.562 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -184.529652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.529652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.529652 (E_RNA) where: Base-Base interactions energy: -110.319 where: short stacking energy: -73.098 Base-Backbone interact. energy: -0.762 local terms energy: -73.448587 where: bonds (distance) C4'-P energy: -15.467 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -16.281 flat angles P-C4'-P energy: -11.388 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -196.801623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.801623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.801623 (E_RNA) where: Base-Base interactions energy: -130.132 where: short stacking energy: -62.847 Base-Backbone interact. energy: -0.171 local terms energy: -66.498370 where: bonds (distance) C4'-P energy: -10.186 bonds (distance) P-C4' energy: -17.833 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -191.483558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.483558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.483558 (E_RNA) where: Base-Base interactions energy: -120.076 where: short stacking energy: -53.610 Base-Backbone interact. energy: -0.223 local terms energy: -71.184831 where: bonds (distance) C4'-P energy: -17.035 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -12.893 tors. eta vs tors. theta energy: -9.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -171.111212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.111212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.111212 (E_RNA) where: Base-Base interactions energy: -110.427 where: short stacking energy: -60.710 Base-Backbone interact. energy: -0.160 local terms energy: -60.524383 where: bonds (distance) C4'-P energy: -16.537 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -9.696 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: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -164.656598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.656598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.656598 (E_RNA) where: Base-Base interactions energy: -99.933 where: short stacking energy: -48.835 Base-Backbone interact. energy: -0.041 local terms energy: -64.682646 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -17.939 flat angles C4'-P-C4' energy: -16.134 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -141.483508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.483508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.483508 (E_RNA) where: Base-Base interactions energy: -85.559 where: short stacking energy: -40.245 Base-Backbone interact. energy: -0.390 local terms energy: -55.534908 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -163.365268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.365268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.365268 (E_RNA) where: Base-Base interactions energy: -102.982 where: short stacking energy: -61.221 Base-Backbone interact. energy: -0.180 local terms energy: -60.203688 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -146.940171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.940171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.940171 (E_RNA) where: Base-Base interactions energy: -92.141 where: short stacking energy: -52.172 Base-Backbone interact. energy: -0.211 local terms energy: -54.587256 where: bonds (distance) C4'-P energy: -8.708 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -15.706 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -80.228814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.228814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.228814 (E_RNA) where: Base-Base interactions energy: -38.031 where: short stacking energy: -37.225 Base-Backbone interact. energy: -0.097 local terms energy: -42.100583 where: bonds (distance) C4'-P energy: -15.042 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -2.511 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -82.400399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.400399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.400399 (E_RNA) where: Base-Base interactions energy: -25.903 where: short stacking energy: -23.563 Base-Backbone interact. energy: -0.121 local terms energy: -56.375906 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -15.152 flat angles C4'-P-C4' energy: -15.839 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -4.101 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: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -194.106334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.106334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.106334 (E_RNA) where: Base-Base interactions energy: -117.915 where: short stacking energy: -74.046 Base-Backbone interact. energy: -0.813 local terms energy: -75.378184 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -15.370 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -20.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -207.056329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.056329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.056329 (E_RNA) where: Base-Base interactions energy: -130.105 where: short stacking energy: -69.269 Base-Backbone interact. energy: -0.217 local terms energy: -76.733687 where: bonds (distance) C4'-P energy: -14.835 bonds (distance) P-C4' energy: -15.839 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -11.547 tors. eta vs tors. theta energy: -19.502 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: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -193.657854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.657854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.657854 (E_RNA) where: Base-Base interactions energy: -127.739 where: short stacking energy: -61.658 Base-Backbone interact. energy: -0.074 local terms energy: -65.844408 where: bonds (distance) C4'-P energy: -15.590 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -10.709 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -16.019 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: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -174.338378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.338378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.338378 (E_RNA) where: Base-Base interactions energy: -107.598 where: short stacking energy: -58.709 Base-Backbone interact. energy: -0.016 local terms energy: -66.723930 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -16.655 flat angles P-C4'-P energy: -13.129 tors. eta vs tors. theta energy: -11.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -163.139021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.139021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.139021 (E_RNA) where: Base-Base interactions energy: -97.806 where: short stacking energy: -62.220 Base-Backbone interact. energy: 0.273 local terms energy: -65.605796 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -14.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -162.238493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.238493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.238493 (E_RNA) where: Base-Base interactions energy: -105.594 where: short stacking energy: -48.035 Base-Backbone interact. energy: -0.046 local terms energy: -56.598025 where: bonds (distance) C4'-P energy: -14.181 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -8.931 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: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -151.886438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.886438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.886438 (E_RNA) where: Base-Base interactions energy: -87.240 where: short stacking energy: -43.749 Base-Backbone interact. energy: -0.214 local terms energy: -64.431975 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -18.259 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -13.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -84.375843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.375843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.375843 (E_RNA) where: Base-Base interactions energy: -35.681 where: short stacking energy: -35.064 Base-Backbone interact. energy: -0.050 local terms energy: -48.644819 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -15.517 flat angles C4'-P-C4' energy: -10.221 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -141.187420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.187420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.187420 (E_RNA) where: Base-Base interactions energy: -81.963 where: short stacking energy: -36.118 Base-Backbone interact. energy: -0.042 local terms energy: -59.183006 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -7.075 tors. eta vs tors. theta energy: -7.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -79.503042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.503042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.503042 (E_RNA) where: Base-Base interactions energy: -35.196 where: short stacking energy: -20.564 Base-Backbone interact. energy: 0.432 local terms energy: -44.738523 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.979 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: 2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -216.824286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.824286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.824286 (E_RNA) where: Base-Base interactions energy: -146.232 where: short stacking energy: -71.821 Base-Backbone interact. energy: -0.152 local terms energy: -70.440525 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -16.092 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -17.658 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: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -187.150941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.150941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.150941 (E_RNA) where: Base-Base interactions energy: -117.948 where: short stacking energy: -63.182 Base-Backbone interact. energy: -0.060 local terms energy: -69.142543 where: bonds (distance) C4'-P energy: -8.477 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -16.801 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -17.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -179.671745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.671745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.671745 (E_RNA) where: Base-Base interactions energy: -106.496 where: short stacking energy: -59.368 Base-Backbone interact. energy: -0.004 local terms energy: -73.170831 where: bonds (distance) C4'-P energy: -12.176 bonds (distance) P-C4' energy: -15.434 flat angles C4'-P-C4' energy: -16.900 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -18.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -168.483862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.483862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.483862 (E_RNA) where: Base-Base interactions energy: -108.070 where: short stacking energy: -43.274 Base-Backbone interact. energy: -0.004 local terms energy: -60.410753 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -13.639 flat angles C4'-P-C4' energy: -16.230 flat angles P-C4'-P energy: -9.232 tors. eta vs tors. theta energy: -7.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -155.063632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.063632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.063632 (E_RNA) where: Base-Base interactions energy: -91.641 where: short stacking energy: -50.767 Base-Backbone interact. energy: -0.173 local terms energy: -63.250427 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -14.233 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -12.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -163.400611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.400611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.400611 (E_RNA) where: Base-Base interactions energy: -101.633 where: short stacking energy: -49.714 Base-Backbone interact. energy: 0.639 local terms energy: -62.406404 where: bonds (distance) C4'-P energy: -16.681 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -12.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -94.084714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.084714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.084714 (E_RNA) where: Base-Base interactions energy: -42.786 where: short stacking energy: -38.527 Base-Backbone interact. energy: -0.105 local terms energy: -51.194152 where: bonds (distance) C4'-P energy: -15.489 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -9.711 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -8.129 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: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -141.681765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.681765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.681765 (E_RNA) where: Base-Base interactions energy: -85.448 where: short stacking energy: -28.340 Base-Backbone interact. energy: -0.635 local terms energy: -55.599356 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -16.141 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -13.862 tors. eta vs tors. theta energy: 1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -133.709169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.709169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.709169 (E_RNA) where: Base-Base interactions energy: -85.054 where: short stacking energy: -46.578 Base-Backbone interact. energy: -0.267 local terms energy: -48.388408 where: bonds (distance) C4'-P energy: -9.612 bonds (distance) P-C4' energy: -8.188 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -10.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -73.331326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.331326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.331326 (E_RNA) where: Base-Base interactions energy: -31.017 where: short stacking energy: -30.348 Base-Backbone interact. energy: -0.144 local terms energy: -42.170012 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -11.292 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -209.553023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.553023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.553023 (E_RNA) where: Base-Base interactions energy: -135.974 where: short stacking energy: -65.645 Base-Backbone interact. energy: -0.135 local terms energy: -73.443882 where: bonds (distance) C4'-P energy: -15.866 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -193.209447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.209447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.209447 (E_RNA) where: Base-Base interactions energy: -127.041 where: short stacking energy: -59.138 Base-Backbone interact. energy: -0.071 local terms energy: -66.097632 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -17.675 flat angles C4'-P-C4' energy: -16.308 flat angles P-C4'-P energy: -7.543 tors. eta vs tors. theta energy: -13.085 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: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -180.594298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.594298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.594298 (E_RNA) where: Base-Base interactions energy: -108.365 where: short stacking energy: -66.098 Base-Backbone interact. energy: -0.002 local terms energy: -72.227388 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -13.373 flat angles C4'-P-C4' energy: -17.707 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -168.516180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.516180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.516180 (E_RNA) where: Base-Base interactions energy: -96.206 where: short stacking energy: -51.322 Base-Backbone interact. energy: -0.530 local terms energy: -71.779943 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -16.968 flat angles P-C4'-P energy: -13.634 tors. eta vs tors. theta energy: -12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -174.712104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.712104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.712104 (E_RNA) where: Base-Base interactions energy: -119.470 where: short stacking energy: -47.397 Base-Backbone interact. energy: -0.561 local terms energy: -54.680642 where: bonds (distance) C4'-P energy: -15.080 bonds (distance) P-C4' energy: -8.332 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -156.713131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.713131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.713131 (E_RNA) where: Base-Base interactions energy: -96.840 where: short stacking energy: -53.497 Base-Backbone interact. energy: -0.010 local terms energy: -59.862451 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -13.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -94.941673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.941673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.941673 (E_RNA) where: Base-Base interactions energy: -44.380 where: short stacking energy: -44.010 Base-Backbone interact. energy: 1.063 local terms energy: -51.624624 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -12.069 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -8.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -149.231299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.231299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.231299 (E_RNA) where: Base-Base interactions energy: -93.503 where: short stacking energy: -46.325 Base-Backbone interact. energy: 0.228 local terms energy: -55.956158 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -8.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -144.002579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.002579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.002579 (E_RNA) where: Base-Base interactions energy: -91.134 where: short stacking energy: -42.736 Base-Backbone interact. energy: -0.166 local terms energy: -52.702826 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -79.066756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.066756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.066756 (E_RNA) where: Base-Base interactions energy: -28.328 where: short stacking energy: -28.328 Base-Backbone interact. energy: -0.226 local terms energy: -50.512719 where: bonds (distance) C4'-P energy: -14.502 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -210.020527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.020527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.020527 (E_RNA) where: Base-Base interactions energy: -132.089 where: short stacking energy: -67.643 Base-Backbone interact. energy: -0.033 local terms energy: -77.899189 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -17.438 flat angles C4'-P-C4' energy: -16.643 flat angles P-C4'-P energy: -12.414 tors. eta vs tors. theta energy: -16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -203.000025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.000025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.000025 (E_RNA) where: Base-Base interactions energy: -129.214 where: short stacking energy: -57.922 Base-Backbone interact. energy: -0.162 local terms energy: -73.624179 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -16.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -186.679540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.679540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.679540 (E_RNA) where: Base-Base interactions energy: -114.017 where: short stacking energy: -65.220 Base-Backbone interact. energy: 3.868 local terms energy: -76.530081 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -15.840 flat angles P-C4'-P energy: -12.966 tors. eta vs tors. theta energy: -16.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -166.006919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.006919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.006919 (E_RNA) where: Base-Base interactions energy: -103.988 where: short stacking energy: -57.649 Base-Backbone interact. energy: -0.001 local terms energy: -62.017985 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -13.489 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: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -163.128615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.128615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.128615 (E_RNA) where: Base-Base interactions energy: -103.262 where: short stacking energy: -58.380 Base-Backbone interact. energy: -0.031 local terms energy: -59.835744 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -10.289 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -157.741074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.741074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.741074 (E_RNA) where: Base-Base interactions energy: -110.830 where: short stacking energy: -41.177 Base-Backbone interact. energy: -0.253 local terms energy: -46.657983 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -10.046 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -152.233523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.233523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.233523 (E_RNA) where: Base-Base interactions energy: -97.781 where: short stacking energy: -51.007 Base-Backbone interact. energy: -0.081 local terms energy: -54.371611 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -12.242 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -94.409868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.409868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.409868 (E_RNA) where: Base-Base interactions energy: -42.382 where: short stacking energy: -32.254 Base-Backbone interact. energy: -0.430 local terms energy: -51.598078 where: bonds (distance) C4'-P energy: -15.702 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -10.431 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: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -137.996259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.996259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.996259 (E_RNA) where: Base-Base interactions energy: -85.245 where: short stacking energy: -39.005 Base-Backbone interact. energy: -0.198 local terms energy: -52.552893 where: bonds (distance) C4'-P energy: -15.908 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -7.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -78.468393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.468393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.468393 (E_RNA) where: Base-Base interactions energy: -27.276 where: short stacking energy: -26.573 Base-Backbone interact. energy: -0.057 local terms energy: -51.135271 where: bonds (distance) C4'-P energy: -8.500 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -197.272880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.272880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.272880 (E_RNA) where: Base-Base interactions energy: -132.276 where: short stacking energy: -57.872 Base-Backbone interact. energy: -0.002 local terms energy: -64.994640 where: bonds (distance) C4'-P energy: -14.728 bonds (distance) P-C4' energy: -15.099 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -11.819 tors. eta vs tors. theta energy: -10.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -190.795630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.795630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.795630 (E_RNA) where: Base-Base interactions energy: -114.914 where: short stacking energy: -64.248 Base-Backbone interact. energy: -0.004 local terms energy: -75.877736 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -16.995 flat angles C4'-P-C4' energy: -17.536 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -18.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -206.277794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.277794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.277794 (E_RNA) where: Base-Base interactions energy: -134.349 where: short stacking energy: -63.713 Base-Backbone interact. energy: -0.054 local terms energy: -71.874777 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -10.633 tors. eta vs tors. theta energy: -18.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -173.120089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.120089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.120089 (E_RNA) where: Base-Base interactions energy: -110.660 where: short stacking energy: -45.372 Base-Backbone interact. energy: -0.362 local terms energy: -62.098134 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -10.838 tors. eta vs tors. theta energy: -9.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -170.216812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.216812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.216812 (E_RNA) where: Base-Base interactions energy: -102.223 where: short stacking energy: -62.083 Base-Backbone interact. energy: 0.787 local terms energy: -68.780372 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -15.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -155.651131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.651131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.651131 (E_RNA) where: Base-Base interactions energy: -102.204 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.166 local terms energy: -53.281173 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -158.815237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.815237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.815237 (E_RNA) where: Base-Base interactions energy: -106.527 where: short stacking energy: -48.621 Base-Backbone interact. energy: -0.204 local terms energy: -52.084885 where: bonds (distance) C4'-P energy: -15.220 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -13.040 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -157.592749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.592749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.592749 (E_RNA) where: Base-Base interactions energy: -83.079 where: short stacking energy: -44.111 Base-Backbone interact. energy: 0.551 local terms energy: -75.065496 where: bonds (distance) C4'-P energy: -14.545 bonds (distance) P-C4' energy: -18.380 flat angles C4'-P-C4' energy: -17.113 flat angles P-C4'-P energy: -14.926 tors. eta vs tors. theta energy: -10.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -87.340607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.340607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.340607 (E_RNA) where: Base-Base interactions energy: -37.434 where: short stacking energy: -37.119 Base-Backbone interact. energy: -0.109 local terms energy: -49.798219 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -8.627 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -75.155718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.155718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.155718 (E_RNA) where: Base-Base interactions energy: -26.042 where: short stacking energy: -20.900 Base-Backbone interact. energy: -0.088 local terms energy: -49.026342 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -11.657 flat angles P-C4'-P energy: -12.710 tors. eta vs tors. theta energy: -2.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -208.615902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.615902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.615902 (E_RNA) where: Base-Base interactions energy: -137.264 where: short stacking energy: -66.371 Base-Backbone interact. energy: -0.533 local terms energy: -70.818428 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -15.728 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -17.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -193.126294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.126294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.126294 (E_RNA) where: Base-Base interactions energy: -123.619 where: short stacking energy: -59.301 Base-Backbone interact. energy: -0.010 local terms energy: -69.497485 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -16.430 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -12.725 tors. eta vs tors. theta energy: -12.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -191.255614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.255614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.255614 (E_RNA) where: Base-Base interactions energy: -122.775 where: short stacking energy: -57.468 Base-Backbone interact. energy: -0.178 local terms energy: -68.302782 where: bonds (distance) C4'-P energy: -14.884 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -11.921 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: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -189.388407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.388407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.388407 (E_RNA) where: Base-Base interactions energy: -128.576 where: short stacking energy: -59.334 Base-Backbone interact. energy: 0.269 local terms energy: -61.081056 where: bonds (distance) C4'-P energy: -14.666 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -14.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -178.145006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.145006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.145006 (E_RNA) where: Base-Base interactions energy: -110.604 where: short stacking energy: -62.414 Base-Backbone interact. energy: -0.006 local terms energy: -67.535509 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -15.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -151.916474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.916474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.916474 (E_RNA) where: Base-Base interactions energy: -95.674 where: short stacking energy: -54.526 Base-Backbone interact. energy: -0.085 local terms energy: -56.157093 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -12.974 flat angles C4'-P-C4' energy: -15.954 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -12.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -154.084609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.084609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.084609 (E_RNA) where: Base-Base interactions energy: -91.690 where: short stacking energy: -46.050 Base-Backbone interact. energy: -0.075 local terms energy: -62.320326 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -17.136 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -9.699 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: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -141.859580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.859580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.859580 (E_RNA) where: Base-Base interactions energy: -83.494 where: short stacking energy: -40.898 Base-Backbone interact. energy: 0.162 local terms energy: -58.527525 where: bonds (distance) C4'-P energy: -15.850 bonds (distance) P-C4' energy: -17.601 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -2.539 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: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -84.636117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.636117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.636117 (E_RNA) where: Base-Base interactions energy: -32.437 where: short stacking energy: -31.988 Base-Backbone interact. energy: 0.744 local terms energy: -52.943265 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -75.635439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.635439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.635439 (E_RNA) where: Base-Base interactions energy: -25.847 where: short stacking energy: -25.723 Base-Backbone interact. energy: -0.195 local terms energy: -49.593826 where: bonds (distance) C4'-P energy: -15.143 bonds (distance) P-C4' energy: -12.409 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -212.123097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.123097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.123097 (E_RNA) where: Base-Base interactions energy: -141.742 where: short stacking energy: -65.476 Base-Backbone interact. energy: -0.089 local terms energy: -70.292609 where: bonds (distance) C4'-P energy: -15.949 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -13.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -196.902485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.902485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.902485 (E_RNA) where: Base-Base interactions energy: -126.618 where: short stacking energy: -61.009 Base-Backbone interact. energy: -0.678 local terms energy: -69.606259 where: bonds (distance) C4'-P energy: -14.070 bonds (distance) P-C4' energy: -17.449 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -166.317713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.317713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.317713 (E_RNA) where: Base-Base interactions energy: -103.130 where: short stacking energy: -56.603 Base-Backbone interact. energy: -1.550 local terms energy: -61.637478 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -15.921 flat angles C4'-P-C4' energy: -15.628 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -10.204 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: 287 Temperature: 1.050000 Total energy: -175.238525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.238525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.238525 (E_RNA) where: Base-Base interactions energy: -112.323 where: short stacking energy: -65.311 Base-Backbone interact. energy: -0.887 local terms energy: -62.028396 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -17.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -174.334258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.334258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.334258 (E_RNA) where: Base-Base interactions energy: -108.360 where: short stacking energy: -40.889 Base-Backbone interact. energy: -0.014 local terms energy: -65.960350 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -16.943 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -13.772 tors. eta vs tors. theta energy: -8.277 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: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -152.334539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.334539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.334539 (E_RNA) where: Base-Base interactions energy: -96.288 where: short stacking energy: -53.323 Base-Backbone interact. energy: -0.511 local terms energy: -55.536112 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -11.000 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -170.716525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.716525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.716525 (E_RNA) where: Base-Base interactions energy: -107.343 where: short stacking energy: -51.095 Base-Backbone interact. energy: 0.388 local terms energy: -63.761852 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -17.007 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -156.417767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.417767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.417767 (E_RNA) where: Base-Base interactions energy: -92.536 where: short stacking energy: -54.449 Base-Backbone interact. energy: -0.126 local terms energy: -63.755249 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -7.965 tors. eta vs tors. theta energy: -12.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -81.444573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.444573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.444573 (E_RNA) where: Base-Base interactions energy: -31.030 where: short stacking energy: -25.717 Base-Backbone interact. energy: 0.528 local terms energy: -50.942754 where: bonds (distance) C4'-P energy: -16.450 bonds (distance) P-C4' energy: -14.792 flat angles C4'-P-C4' energy: -16.326 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: 1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -84.137253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.137253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.137253 (E_RNA) where: Base-Base interactions energy: -35.342 where: short stacking energy: -27.630 Base-Backbone interact. energy: -0.424 local terms energy: -48.371017 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -214.790575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.790575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.790575 (E_RNA) where: Base-Base interactions energy: -138.911 where: short stacking energy: -66.231 Base-Backbone interact. energy: -0.342 local terms energy: -75.537094 where: bonds (distance) C4'-P energy: -15.468 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -17.400 flat angles P-C4'-P energy: -14.745 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -202.578422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.578422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.578422 (E_RNA) where: Base-Base interactions energy: -139.143 where: short stacking energy: -56.859 Base-Backbone interact. energy: -0.236 local terms energy: -63.200034 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -14.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -156.669114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.669114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.669114 (E_RNA) where: Base-Base interactions energy: -95.046 where: short stacking energy: -50.976 Base-Backbone interact. energy: -0.045 local terms energy: -61.577974 where: bonds (distance) C4'-P energy: -15.585 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -5.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -167.942766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.942766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.942766 (E_RNA) where: Base-Base interactions energy: -99.924 where: short stacking energy: -50.939 Base-Backbone interact. energy: -0.042 local terms energy: -67.977117 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -13.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -160.841772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.841772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.841772 (E_RNA) where: Base-Base interactions energy: -99.844 where: short stacking energy: -55.931 Base-Backbone interact. energy: 1.412 local terms energy: -62.409854 where: bonds (distance) C4'-P energy: -16.325 bonds (distance) P-C4' energy: -16.011 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -15.316 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: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -152.650888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.650888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.650888 (E_RNA) where: Base-Base interactions energy: -90.126 where: short stacking energy: -50.244 Base-Backbone interact. energy: -1.590 local terms energy: -60.934430 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -16.498 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -11.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -146.728203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.728203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.728203 (E_RNA) where: Base-Base interactions energy: -88.767 where: short stacking energy: -42.866 Base-Backbone interact. energy: -1.750 local terms energy: -56.211317 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -13.210 flat angles C4'-P-C4' energy: -16.049 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -7.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -146.280263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.280263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.280263 (E_RNA) where: Base-Base interactions energy: -87.544 where: short stacking energy: -43.985 Base-Backbone interact. energy: -1.389 local terms energy: -57.347056 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -17.166 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -6.843 tors. eta vs tors. theta energy: -7.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -98.162045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.162045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.162045 (E_RNA) where: Base-Base interactions energy: -41.466 where: short stacking energy: -40.604 Base-Backbone interact. energy: -0.006 local terms energy: -56.689382 where: bonds (distance) C4'-P energy: -13.779 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -7.795 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: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -83.287589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.287589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.287589 (E_RNA) where: Base-Base interactions energy: -30.743 where: short stacking energy: -27.434 Base-Backbone interact. energy: -0.014 local terms energy: -52.531024 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -6.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -213.540554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.540554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.540554 (E_RNA) where: Base-Base interactions energy: -136.588 where: short stacking energy: -63.294 Base-Backbone interact. energy: -0.475 local terms energy: -76.477392 where: bonds (distance) C4'-P energy: -15.676 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -13.219 tors. eta vs tors. theta energy: -18.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -213.018711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.018711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.018711 (E_RNA) where: Base-Base interactions energy: -138.505 where: short stacking energy: -70.300 Base-Backbone interact. energy: 0.982 local terms energy: -75.495644 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -17.382 flat angles P-C4'-P energy: -11.980 tors. eta vs tors. theta energy: -17.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -171.200302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.200302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.200302 (E_RNA) where: Base-Base interactions energy: -99.901 where: short stacking energy: -56.358 Base-Backbone interact. energy: -0.291 local terms energy: -71.008782 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -16.147 flat angles C4'-P-C4' energy: -17.679 flat angles P-C4'-P energy: -11.721 tors. eta vs tors. theta energy: -14.359 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -172.261520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.261520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.261520 (E_RNA) where: Base-Base interactions energy: -105.589 where: short stacking energy: -64.484 Base-Backbone interact. energy: -0.456 local terms energy: -66.216538 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -16.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -164.168209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.168209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.168209 (E_RNA) where: Base-Base interactions energy: -94.543 where: short stacking energy: -56.685 Base-Backbone interact. energy: -0.578 local terms energy: -69.046911 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -11.561 tors. eta vs tors. theta energy: -16.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -156.910991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.910991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.910991 (E_RNA) where: Base-Base interactions energy: -89.158 where: short stacking energy: -46.368 Base-Backbone interact. energy: -1.623 local terms energy: -66.130174 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -13.493 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -12.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -162.495639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.495639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.495639 (E_RNA) where: Base-Base interactions energy: -105.287 where: short stacking energy: -51.496 Base-Backbone interact. energy: 0.858 local terms energy: -58.066740 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -10.085 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -11.104 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: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -158.204555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.204555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.204555 (E_RNA) where: Base-Base interactions energy: -95.895 where: short stacking energy: -41.968 Base-Backbone interact. energy: -0.334 local terms energy: -61.975396 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -18.236 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -8.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -81.462410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.462410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.462410 (E_RNA) where: Base-Base interactions energy: -38.511 where: short stacking energy: -28.683 Base-Backbone interact. energy: -0.153 local terms energy: -42.798796 where: bonds (distance) C4'-P energy: -8.233 bonds (distance) P-C4' energy: -18.265 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: 0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -74.814316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.814316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.814316 (E_RNA) where: Base-Base interactions energy: -25.561 where: short stacking energy: -17.144 Base-Backbone interact. energy: -0.245 local terms energy: -49.007944 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.945 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -1.923 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: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -206.648465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.648465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.648465 (E_RNA) where: Base-Base interactions energy: -131.032 where: short stacking energy: -53.398 Base-Backbone interact. energy: -0.409 local terms energy: -75.207219 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -16.523 flat angles C4'-P-C4' energy: -17.284 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -18.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -204.425994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.425994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.425994 (E_RNA) where: Base-Base interactions energy: -129.366 where: short stacking energy: -59.770 Base-Backbone interact. energy: -0.118 local terms energy: -74.942274 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -17.771 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -12.687 tors. eta vs tors. theta energy: -16.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -181.101291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.101291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.101291 (E_RNA) where: Base-Base interactions energy: -106.353 where: short stacking energy: -57.492 Base-Backbone interact. energy: -0.091 local terms energy: -74.657746 where: bonds (distance) C4'-P energy: -16.464 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -16.453 flat angles P-C4'-P energy: -13.598 tors. eta vs tors. theta energy: -15.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -166.374914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.374914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.374914 (E_RNA) where: Base-Base interactions energy: -102.470 where: short stacking energy: -58.801 Base-Backbone interact. energy: -0.633 local terms energy: -63.271945 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -11.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -159.491111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.491111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.491111 (E_RNA) where: Base-Base interactions energy: -96.335 where: short stacking energy: -52.903 Base-Backbone interact. energy: -0.002 local terms energy: -63.154349 where: bonds (distance) C4'-P energy: -10.500 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -10.679 tors. eta vs tors. theta energy: -12.692 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: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -166.931674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.931674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.931674 (E_RNA) where: Base-Base interactions energy: -98.223 where: short stacking energy: -52.571 Base-Backbone interact. energy: -0.084 local terms energy: -68.625073 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -14.651 flat angles C4'-P-C4' energy: -16.524 flat angles P-C4'-P energy: -11.556 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -146.481546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.481546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.481546 (E_RNA) where: Base-Base interactions energy: -88.106 where: short stacking energy: -43.837 Base-Backbone interact. energy: -0.057 local terms energy: -58.318087 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -13.486 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -7.720 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: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -156.348759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.348759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.348759 (E_RNA) where: Base-Base interactions energy: -94.419 where: short stacking energy: -41.691 Base-Backbone interact. energy: -0.040 local terms energy: -61.889763 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -17.372 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -10.864 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: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -86.245903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.245903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.245903 (E_RNA) where: Base-Base interactions energy: -33.846 where: short stacking energy: -21.269 Base-Backbone interact. energy: -0.650 local terms energy: -51.749749 where: bonds (distance) C4'-P energy: -16.938 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -16.222 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -95.215512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.215512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.215512 (E_RNA) where: Base-Base interactions energy: -41.227 where: short stacking energy: -31.462 Base-Backbone interact. energy: -0.030 local terms energy: -53.958767 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -12.513 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -207.135186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.135186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.135186 (E_RNA) where: Base-Base interactions energy: -138.575 where: short stacking energy: -68.267 Base-Backbone interact. energy: -0.117 local terms energy: -68.443637 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -16.453 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -14.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -206.762709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.762709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.762709 (E_RNA) where: Base-Base interactions energy: -133.226 where: short stacking energy: -67.266 Base-Backbone interact. energy: -0.140 local terms energy: -73.396861 where: bonds (distance) C4'-P energy: -16.412 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -10.291 tors. eta vs tors. theta energy: -16.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -175.885764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.885764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.885764 (E_RNA) where: Base-Base interactions energy: -103.797 where: short stacking energy: -53.041 Base-Backbone interact. energy: -0.029 local terms energy: -72.060168 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -15.645 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -13.989 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: 4, replica: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -160.010230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.010230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.010230 (E_RNA) where: Base-Base interactions energy: -95.436 where: short stacking energy: -50.567 Base-Backbone interact. energy: -0.025 local terms energy: -64.549382 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -159.109868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.109868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.109868 (E_RNA) where: Base-Base interactions energy: -97.414 where: short stacking energy: -58.936 Base-Backbone interact. energy: -0.031 local terms energy: -61.664228 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -12.013 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -16.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -163.582069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.582069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.582069 (E_RNA) where: Base-Base interactions energy: -107.766 where: short stacking energy: -49.178 Base-Backbone interact. energy: -0.303 local terms energy: -55.512823 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -11.168 flat angles C4'-P-C4' energy: -16.113 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -6.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -143.214879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.214879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.214879 (E_RNA) where: Base-Base interactions energy: -87.972 where: short stacking energy: -42.770 Base-Backbone interact. energy: 3.245 local terms energy: -58.488364 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -11.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -142.656103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.656103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.656103 (E_RNA) where: Base-Base interactions energy: -82.753 where: short stacking energy: -37.640 Base-Backbone interact. energy: -0.046 local terms energy: -59.857367 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -8.317 tors. eta vs tors. theta energy: -12.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -80.716322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.716322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.716322 (E_RNA) where: Base-Base interactions energy: -25.584 where: short stacking energy: -27.463 Base-Backbone interact. energy: -0.292 local terms energy: -54.840835 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -16.173 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -74.704174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.704174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.704174 (E_RNA) where: Base-Base interactions energy: -31.647 where: short stacking energy: -31.647 Base-Backbone interact. energy: -0.143 local terms energy: -42.914414 where: bonds (distance) C4'-P energy: -5.421 bonds (distance) P-C4' energy: -13.415 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -213.106288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.106288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.106288 (E_RNA) where: Base-Base interactions energy: -148.502 where: short stacking energy: -64.654 Base-Backbone interact. energy: -0.619 local terms energy: -63.985806 where: bonds (distance) C4'-P energy: -11.227 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -7.630 tors. eta vs tors. theta energy: -18.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -225.088970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.088970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.088970 (E_RNA) where: Base-Base interactions energy: -147.293 where: short stacking energy: -65.487 Base-Backbone interact. energy: -0.307 local terms energy: -77.489144 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -17.071 flat angles P-C4'-P energy: -12.689 tors. eta vs tors. theta energy: -19.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -173.287445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.287445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.287445 (E_RNA) where: Base-Base interactions energy: -112.717 where: short stacking energy: -66.239 Base-Backbone interact. energy: -0.079 local terms energy: -60.491307 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -15.221 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -7.034 tors. eta vs tors. theta energy: -12.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -170.598422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.598422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.598422 (E_RNA) where: Base-Base interactions energy: -108.127 where: short stacking energy: -63.582 Base-Backbone interact. energy: -0.088 local terms energy: -62.383606 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -16.528 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -12.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -167.995277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.995277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.995277 (E_RNA) where: Base-Base interactions energy: -107.678 where: short stacking energy: -52.909 Base-Backbone interact. energy: -0.205 local terms energy: -60.111499 where: bonds (distance) C4'-P energy: -9.702 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -12.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -158.306671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.306671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.306671 (E_RNA) where: Base-Base interactions energy: -97.642 where: short stacking energy: -51.550 Base-Backbone interact. energy: -0.142 local terms energy: -60.522452 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -14.633 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -11.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -152.626702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.626702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.626702 (E_RNA) where: Base-Base interactions energy: -96.147 where: short stacking energy: -51.566 Base-Backbone interact. energy: -0.015 local terms energy: -56.464038 where: bonds (distance) C4'-P energy: -8.935 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -14.754 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -11.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -156.002133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.002133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.002133 (E_RNA) where: Base-Base interactions energy: -93.661 where: short stacking energy: -47.428 Base-Backbone interact. energy: -0.076 local terms energy: -62.264912 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -12.686 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -11.364 tors. eta vs tors. theta energy: -12.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -91.998178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.998178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.998178 (E_RNA) where: Base-Base interactions energy: -38.630 where: short stacking energy: -37.822 Base-Backbone interact. energy: -0.116 local terms energy: -53.251887 where: bonds (distance) C4'-P energy: -16.873 bonds (distance) P-C4' energy: -16.985 flat angles C4'-P-C4' energy: -9.897 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -76.670003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.670003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.670003 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -24.122 Base-Backbone interact. energy: -0.090 local terms energy: -52.457817 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -208.660438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.660438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.660438 (E_RNA) where: Base-Base interactions energy: -133.522 where: short stacking energy: -67.751 Base-Backbone interact. energy: -0.689 local terms energy: -74.449311 where: bonds (distance) C4'-P energy: -15.095 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -16.224 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: -18.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -214.802445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.802445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.802445 (E_RNA) where: Base-Base interactions energy: -138.236 where: short stacking energy: -67.837 Base-Backbone interact. energy: -0.083 local terms energy: -76.482702 where: bonds (distance) C4'-P energy: -11.763 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -17.049 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -20.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -179.344225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.344225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.344225 (E_RNA) where: Base-Base interactions energy: -113.485 where: short stacking energy: -69.440 Base-Backbone interact. energy: -0.588 local terms energy: -65.271399 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -158.456749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.456749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.456749 (E_RNA) where: Base-Base interactions energy: -93.788 where: short stacking energy: -47.468 Base-Backbone interact. energy: -0.030 local terms energy: -64.638352 where: bonds (distance) C4'-P energy: -16.533 bonds (distance) P-C4' energy: -13.754 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -161.273029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.273029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.273029 (E_RNA) where: Base-Base interactions energy: -95.925 where: short stacking energy: -54.022 Base-Backbone interact. energy: -0.028 local terms energy: -65.320612 where: bonds (distance) C4'-P energy: -12.832 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -169.486322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.486322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.486322 (E_RNA) where: Base-Base interactions energy: -98.254 where: short stacking energy: -52.295 Base-Backbone interact. energy: -0.006 local terms energy: -71.225654 where: bonds (distance) C4'-P energy: -12.075 bonds (distance) P-C4' energy: -15.715 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -12.428 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -150.878513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.878513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.878513 (E_RNA) where: Base-Base interactions energy: -97.161 where: short stacking energy: -47.948 Base-Backbone interact. energy: -0.315 local terms energy: -53.402102 where: bonds (distance) C4'-P energy: -8.423 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -13.608 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -146.612779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.612779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.612779 (E_RNA) where: Base-Base interactions energy: -89.134 where: short stacking energy: -43.037 Base-Backbone interact. energy: -0.395 local terms energy: -57.083626 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -8.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -90.273688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.273688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.273688 (E_RNA) where: Base-Base interactions energy: -36.717 where: short stacking energy: -36.717 Base-Backbone interact. energy: 0.385 local terms energy: -53.940992 where: bonds (distance) C4'-P energy: -13.830 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -88.322576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.322576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.322576 (E_RNA) where: Base-Base interactions energy: -38.359 where: short stacking energy: -34.504 Base-Backbone interact. energy: -0.138 local terms energy: -49.825546 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -7.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -220.111742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.111742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.111742 (E_RNA) where: Base-Base interactions energy: -141.934 where: short stacking energy: -69.852 Base-Backbone interact. energy: -0.212 local terms energy: -77.965271 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -16.255 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -21.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -213.946006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.946006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.946006 (E_RNA) where: Base-Base interactions energy: -136.985 where: short stacking energy: -66.269 Base-Backbone interact. energy: -0.162 local terms energy: -76.798351 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -12.471 tors. eta vs tors. theta energy: -16.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -191.245116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.245116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.245116 (E_RNA) where: Base-Base interactions energy: -111.911 where: short stacking energy: -67.185 Base-Backbone interact. energy: -0.490 local terms energy: -78.844171 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -16.819 flat angles C4'-P-C4' energy: -16.608 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -20.479 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: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -169.783552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.783552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.783552 (E_RNA) where: Base-Base interactions energy: -104.430 where: short stacking energy: -55.884 Base-Backbone interact. energy: -0.238 local terms energy: -65.115129 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -11.439 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: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -172.871085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.871085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.871085 (E_RNA) where: Base-Base interactions energy: -109.771 where: short stacking energy: -48.318 Base-Backbone interact. energy: -0.455 local terms energy: -62.645540 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -17.321 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -12.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -153.941626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.941626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.941626 (E_RNA) where: Base-Base interactions energy: -99.225 where: short stacking energy: -50.949 Base-Backbone interact. energy: -0.129 local terms energy: -54.587495 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -11.401 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: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -153.410989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.410989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.410989 (E_RNA) where: Base-Base interactions energy: -87.084 where: short stacking energy: -51.465 Base-Backbone interact. energy: -0.031 local terms energy: -66.296439 where: bonds (distance) C4'-P energy: -13.816 bonds (distance) P-C4' energy: -18.126 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -8.732 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: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -154.506679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.506679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.506679 (E_RNA) where: Base-Base interactions energy: -92.141 where: short stacking energy: -53.516 Base-Backbone interact. energy: -0.009 local terms energy: -62.356863 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -13.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -89.818732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.818732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.818732 (E_RNA) where: Base-Base interactions energy: -34.378 where: short stacking energy: -24.081 Base-Backbone interact. energy: -0.092 local terms energy: -55.349210 where: bonds (distance) C4'-P energy: -14.886 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -72.982342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.982342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.982342 (E_RNA) where: Base-Base interactions energy: -30.637 where: short stacking energy: -30.637 Base-Backbone interact. energy: 0.541 local terms energy: -42.886227 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -16.721 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -1.422 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: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -216.289054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.289054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.289054 (E_RNA) where: Base-Base interactions energy: -139.459 where: short stacking energy: -70.004 Base-Backbone interact. energy: 1.834 local terms energy: -78.664372 where: bonds (distance) C4'-P energy: -15.336 bonds (distance) P-C4' energy: -16.332 flat angles C4'-P-C4' energy: -16.337 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -20.127 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: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -180.672048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.672048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.672048 (E_RNA) where: Base-Base interactions energy: -109.892 where: short stacking energy: -65.907 Base-Backbone interact. energy: -0.426 local terms energy: -70.353854 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -18.190 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -15.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -209.849996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.849996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.849996 (E_RNA) where: Base-Base interactions energy: -143.164 where: short stacking energy: -61.988 Base-Backbone interact. energy: 0.445 local terms energy: -67.131133 where: bonds (distance) C4'-P energy: -12.063 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -16.644 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -13.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -171.256895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.256895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.256895 (E_RNA) where: Base-Base interactions energy: -104.782 where: short stacking energy: -58.615 Base-Backbone interact. energy: -0.199 local terms energy: -66.276531 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -13.033 tors. eta vs tors. theta energy: -12.488 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: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -170.639381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.639381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.639381 (E_RNA) where: Base-Base interactions energy: -105.410 where: short stacking energy: -58.783 Base-Backbone interact. energy: -0.013 local terms energy: -65.216388 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -12.951 tors. eta vs tors. theta energy: -14.509 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: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -159.654465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.654465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.654465 (E_RNA) where: Base-Base interactions energy: -95.349 where: short stacking energy: -58.464 Base-Backbone interact. energy: -0.124 local terms energy: -64.181093 where: bonds (distance) C4'-P energy: -14.976 bonds (distance) P-C4' energy: -16.324 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -8.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -147.989120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.989120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.989120 (E_RNA) where: Base-Base interactions energy: -93.669 where: short stacking energy: -52.479 Base-Backbone interact. energy: -0.076 local terms energy: -54.244485 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -9.738 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -10.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -144.685971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.685971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.685971 (E_RNA) where: Base-Base interactions energy: -89.505 where: short stacking energy: -43.746 Base-Backbone interact. energy: -0.152 local terms energy: -55.028292 where: bonds (distance) C4'-P energy: -9.307 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -7.268 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: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -81.461052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.461052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.461052 (E_RNA) where: Base-Base interactions energy: -33.003 where: short stacking energy: -22.939 Base-Backbone interact. energy: -0.129 local terms energy: -48.329676 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -14.440 flat angles C4'-P-C4' energy: -10.819 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -7.267 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: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -75.508538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.508538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.508538 (E_RNA) where: Base-Base interactions energy: -31.492 where: short stacking energy: -20.582 Base-Backbone interact. energy: -0.133 local terms energy: -43.883353 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -0.505 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: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -195.766623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.766623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.766623 (E_RNA) where: Base-Base interactions energy: -117.817 where: short stacking energy: -66.392 Base-Backbone interact. energy: -0.261 local terms energy: -77.688442 where: bonds (distance) C4'-P energy: -15.717 bonds (distance) P-C4' energy: -15.881 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -13.703 tors. eta vs tors. theta energy: -19.171 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: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -185.088041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.088041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.088041 (E_RNA) where: Base-Base interactions energy: -117.777 where: short stacking energy: -73.986 Base-Backbone interact. energy: 0.069 local terms energy: -67.379585 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -6.840 tors. eta vs tors. theta energy: -18.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -186.349706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.349706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.349706 (E_RNA) where: Base-Base interactions energy: -115.589 where: short stacking energy: -58.136 Base-Backbone interact. energy: -0.129 local terms energy: -70.631937 where: bonds (distance) C4'-P energy: -15.096 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -17.138 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: -15.294 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: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -186.236947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.236947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.236947 (E_RNA) where: Base-Base interactions energy: -120.716 where: short stacking energy: -57.121 Base-Backbone interact. energy: 0.671 local terms energy: -66.192099 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -11.512 tors. eta vs tors. theta energy: -13.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -160.058156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.058156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.058156 (E_RNA) where: Base-Base interactions energy: -109.059 where: short stacking energy: -44.821 Base-Backbone interact. energy: -0.071 local terms energy: -50.927469 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -11.249 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -161.547730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.547730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.547730 (E_RNA) where: Base-Base interactions energy: -92.737 where: short stacking energy: -53.226 Base-Backbone interact. energy: -0.067 local terms energy: -68.744102 where: bonds (distance) C4'-P energy: -15.284 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -12.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -153.217588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.217588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.217588 (E_RNA) where: Base-Base interactions energy: -106.180 where: short stacking energy: -49.407 Base-Backbone interact. energy: -0.479 local terms energy: -46.558862 where: bonds (distance) C4'-P energy: -7.737 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -10.217 flat angles P-C4'-P energy: -8.361 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -139.042525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.042525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.042525 (E_RNA) where: Base-Base interactions energy: -85.975 where: short stacking energy: -42.127 Base-Backbone interact. energy: -0.199 local terms energy: -52.868797 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -88.140571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.140571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.140571 (E_RNA) where: Base-Base interactions energy: -38.737 where: short stacking energy: -29.141 Base-Backbone interact. energy: -0.204 local terms energy: -49.200037 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -13.841 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -4.162 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: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -86.747255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.747255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.747255 (E_RNA) where: Base-Base interactions energy: -37.697 where: short stacking energy: -37.375 Base-Backbone interact. energy: -0.178 local terms energy: -48.872205 where: bonds (distance) C4'-P energy: -14.789 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -196.865236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.865236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.865236 (E_RNA) where: Base-Base interactions energy: -128.349 where: short stacking energy: -62.432 Base-Backbone interact. energy: -0.263 local terms energy: -68.253590 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -14.630 flat angles C4'-P-C4' energy: -15.472 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -15.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -180.025058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.025058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.025058 (E_RNA) where: Base-Base interactions energy: -111.825 where: short stacking energy: -64.080 Base-Backbone interact. energy: -1.538 local terms energy: -66.661844 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -10.336 tors. eta vs tors. theta energy: -15.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -170.226348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.226348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.226348 (E_RNA) where: Base-Base interactions energy: -95.038 where: short stacking energy: -59.270 Base-Backbone interact. energy: -0.020 local terms energy: -75.168247 where: bonds (distance) C4'-P energy: -17.460 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -15.669 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -15.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -170.346884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.346884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.346884 (E_RNA) where: Base-Base interactions energy: -100.649 where: short stacking energy: -59.082 Base-Backbone interact. energy: -0.151 local terms energy: -69.546370 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -12.524 tors. eta vs tors. theta energy: -17.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -148.982131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.982131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.982131 (E_RNA) where: Base-Base interactions energy: -92.689 where: short stacking energy: -49.661 Base-Backbone interact. energy: -0.130 local terms energy: -56.162573 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -12.655 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -162.429912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.429912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.429912 (E_RNA) where: Base-Base interactions energy: -109.827 where: short stacking energy: -50.363 Base-Backbone interact. energy: -0.489 local terms energy: -52.114274 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -7.086 tors. eta vs tors. theta energy: -8.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -161.402945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.402945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.402945 (E_RNA) where: Base-Base interactions energy: -101.019 where: short stacking energy: -57.459 Base-Backbone interact. energy: -0.160 local terms energy: -60.223671 where: bonds (distance) C4'-P energy: -10.813 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -11.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -83.637043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.637043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.637043 (E_RNA) where: Base-Base interactions energy: -29.934 where: short stacking energy: -28.508 Base-Backbone interact. energy: 1.029 local terms energy: -54.731814 where: bonds (distance) C4'-P energy: -14.364 bonds (distance) P-C4' energy: -16.136 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -2.387 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: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -135.864759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.864759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.864759 (E_RNA) where: Base-Base interactions energy: -84.626 where: short stacking energy: -36.805 Base-Backbone interact. energy: -0.122 local terms energy: -51.117090 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -17.852 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -76.820986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.820986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.820986 (E_RNA) where: Base-Base interactions energy: -22.153 where: short stacking energy: -18.142 Base-Backbone interact. energy: -0.201 local terms energy: -54.467482 where: bonds (distance) C4'-P energy: -14.820 bonds (distance) P-C4' energy: -17.099 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -13.260 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -190.851778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.851778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.851778 (E_RNA) where: Base-Base interactions energy: -120.241 where: short stacking energy: -60.853 Base-Backbone interact. energy: -0.351 local terms energy: -70.260107 where: bonds (distance) C4'-P energy: -15.932 bonds (distance) P-C4' energy: -13.161 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -13.868 tors. eta vs tors. theta energy: -14.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -194.744540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.744540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.744540 (E_RNA) where: Base-Base interactions energy: -122.903 where: short stacking energy: -67.772 Base-Backbone interact. energy: -0.703 local terms energy: -71.138772 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -16.326 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -16.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -188.241592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.241592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.241592 (E_RNA) where: Base-Base interactions energy: -112.517 where: short stacking energy: -72.860 Base-Backbone interact. energy: -0.024 local terms energy: -75.700680 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -17.693 flat angles C4'-P-C4' energy: -18.203 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -18.036 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: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -172.358955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.358955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.358955 (E_RNA) where: Base-Base interactions energy: -109.614 where: short stacking energy: -58.002 Base-Backbone interact. energy: 0.273 local terms energy: -63.017589 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -15.677 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -14.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -165.747650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.747650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.747650 (E_RNA) where: Base-Base interactions energy: -106.447 where: short stacking energy: -60.850 Base-Backbone interact. energy: -0.009 local terms energy: -59.292116 where: bonds (distance) C4'-P energy: -17.014 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -153.578890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.578890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.578890 (E_RNA) where: Base-Base interactions energy: -93.943 where: short stacking energy: -48.612 Base-Backbone interact. energy: -0.131 local terms energy: -59.505286 where: bonds (distance) C4'-P energy: -11.229 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -12.199 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: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -156.043083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.043083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.043083 (E_RNA) where: Base-Base interactions energy: -98.308 where: short stacking energy: -51.970 Base-Backbone interact. energy: -0.112 local terms energy: -57.623607 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -11.884 tors. eta vs tors. theta energy: -11.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -86.156412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.156412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.156412 (E_RNA) where: Base-Base interactions energy: -39.131 where: short stacking energy: -38.926 Base-Backbone interact. energy: 1.992 local terms energy: -49.016568 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -8.113 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -4.429 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: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -145.082771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.082771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.082771 (E_RNA) where: Base-Base interactions energy: -83.696 where: short stacking energy: -42.338 Base-Backbone interact. energy: -0.223 local terms energy: -61.163844 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -16.093 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -8.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -78.742052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.742052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.742052 (E_RNA) where: Base-Base interactions energy: -37.119 where: short stacking energy: -21.113 Base-Backbone interact. energy: -0.094 local terms energy: -41.529295 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: -0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -200.428596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.428596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.428596 (E_RNA) where: Base-Base interactions energy: -121.921 where: short stacking energy: -75.182 Base-Backbone interact. energy: -0.484 local terms energy: -78.023704 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -12.061 tors. eta vs tors. theta energy: -19.984 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: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -184.921010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.921010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.921010 (E_RNA) where: Base-Base interactions energy: -114.651 where: short stacking energy: -54.680 Base-Backbone interact. energy: -0.005 local terms energy: -70.265480 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -13.324 tors. eta vs tors. theta energy: -10.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -177.273060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.273060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.273060 (E_RNA) where: Base-Base interactions energy: -108.198 where: short stacking energy: -63.266 Base-Backbone interact. energy: -0.012 local terms energy: -69.062487 where: bonds (distance) C4'-P energy: -15.965 bonds (distance) P-C4' energy: -16.507 flat angles C4'-P-C4' energy: -11.465 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -14.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -165.413526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.413526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.413526 (E_RNA) where: Base-Base interactions energy: -97.335 where: short stacking energy: -55.751 Base-Backbone interact. energy: -0.193 local terms energy: -67.885415 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -16.948 flat angles C4'-P-C4' energy: -16.686 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -13.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -169.950701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.950701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.950701 (E_RNA) where: Base-Base interactions energy: -100.994 where: short stacking energy: -60.498 Base-Backbone interact. energy: -0.056 local terms energy: -68.900699 where: bonds (distance) C4'-P energy: -16.128 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -16.081 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -13.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -162.778194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.778194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.778194 (E_RNA) where: Base-Base interactions energy: -100.258 where: short stacking energy: -48.027 Base-Backbone interact. energy: -0.103 local terms energy: -62.417115 where: bonds (distance) C4'-P energy: -9.788 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -16.153 flat angles P-C4'-P energy: -13.391 tors. eta vs tors. theta energy: -8.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -139.336914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.336914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.336914 (E_RNA) where: Base-Base interactions energy: -78.990 where: short stacking energy: -42.806 Base-Backbone interact. energy: -0.185 local terms energy: -60.161226 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -17.289 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -8.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -140.298409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.298409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.298409 (E_RNA) where: Base-Base interactions energy: -85.016 where: short stacking energy: -44.391 Base-Backbone interact. energy: -0.069 local terms energy: -55.212600 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -9.347 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -12.294 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -96.249682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.249682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.249682 (E_RNA) where: Base-Base interactions energy: -39.229 where: short stacking energy: -35.862 Base-Backbone interact. energy: -0.071 local terms energy: -56.949572 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -16.194 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -71.938247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.938247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.938247 (E_RNA) where: Base-Base interactions energy: -23.294 where: short stacking energy: -19.061 Base-Backbone interact. energy: -0.938 local terms energy: -47.706442 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: 1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -187.098141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.098141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.098141 (E_RNA) where: Base-Base interactions energy: -116.720 where: short stacking energy: -64.030 Base-Backbone interact. energy: -0.105 local terms energy: -70.273473 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -15.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -185.043543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.043543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.043543 (E_RNA) where: Base-Base interactions energy: -115.009 where: short stacking energy: -71.784 Base-Backbone interact. energy: -0.017 local terms energy: -70.017172 where: bonds (distance) C4'-P energy: -11.200 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -16.659 flat angles P-C4'-P energy: -11.883 tors. eta vs tors. theta energy: -16.101 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: 3, replica: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -195.908979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.908979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.908979 (E_RNA) where: Base-Base interactions energy: -127.183 where: short stacking energy: -63.468 Base-Backbone interact. energy: -0.000 local terms energy: -68.725524 where: bonds (distance) C4'-P energy: -14.930 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -169.909136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.909136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.909136 (E_RNA) where: Base-Base interactions energy: -97.864 where: short stacking energy: -54.107 Base-Backbone interact. energy: -0.732 local terms energy: -71.313541 where: bonds (distance) C4'-P energy: -15.808 bonds (distance) P-C4' energy: -17.086 flat angles C4'-P-C4' energy: -15.939 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -15.984 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: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -154.025537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.025537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.025537 (E_RNA) where: Base-Base interactions energy: -96.662 where: short stacking energy: -53.068 Base-Backbone interact. energy: -0.657 local terms energy: -56.706961 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -9.874 flat angles P-C4'-P energy: -11.106 tors. eta vs tors. theta energy: -10.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -162.883620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.883620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.883620 (E_RNA) where: Base-Base interactions energy: -105.555 where: short stacking energy: -57.403 Base-Backbone interact. energy: -0.083 local terms energy: -57.245422 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -11.755 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -10.441 tors. eta vs tors. theta energy: -13.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -159.242222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.242222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.242222 (E_RNA) where: Base-Base interactions energy: -99.708 where: short stacking energy: -55.728 Base-Backbone interact. energy: 0.487 local terms energy: -60.021265 where: bonds (distance) C4'-P energy: -13.867 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -8.144 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -160.643322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.643322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.643322 (E_RNA) where: Base-Base interactions energy: -97.985 where: short stacking energy: -47.112 Base-Backbone interact. energy: -0.575 local terms energy: -62.083114 where: bonds (distance) C4'-P energy: -15.853 bonds (distance) P-C4' energy: -10.179 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -10.411 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: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -75.029933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.029933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.029933 (E_RNA) where: Base-Base interactions energy: -25.634 where: short stacking energy: -22.756 Base-Backbone interact. energy: -0.131 local terms energy: -49.264587 where: bonds (distance) C4'-P energy: -14.790 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: 2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -80.765086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.765086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.765086 (E_RNA) where: Base-Base interactions energy: -31.278 where: short stacking energy: -20.989 Base-Backbone interact. energy: -0.135 local terms energy: -49.351972 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -181.588619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.588619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.588619 (E_RNA) where: Base-Base interactions energy: -121.704 where: short stacking energy: -67.903 Base-Backbone interact. energy: -0.042 local terms energy: -59.843396 where: bonds (distance) C4'-P energy: -10.421 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -10.967 tors. eta vs tors. theta energy: -13.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -192.284103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.284103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.284103 (E_RNA) where: Base-Base interactions energy: -118.741 where: short stacking energy: -71.264 Base-Backbone interact. energy: -0.027 local terms energy: -73.516147 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -17.011 flat angles P-C4'-P energy: -12.023 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -210.294657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.294657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.294657 (E_RNA) where: Base-Base interactions energy: -144.134 where: short stacking energy: -65.240 Base-Backbone interact. energy: -0.003 local terms energy: -66.157730 where: bonds (distance) C4'-P energy: -16.768 bonds (distance) P-C4' energy: -14.440 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -9.110 tors. eta vs tors. theta energy: -14.163 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: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -164.870592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.870592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.870592 (E_RNA) where: Base-Base interactions energy: -98.576 where: short stacking energy: -52.825 Base-Backbone interact. energy: -0.649 local terms energy: -65.645665 where: bonds (distance) C4'-P energy: -13.791 bonds (distance) P-C4' energy: -15.957 flat angles C4'-P-C4' energy: -15.446 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -10.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -167.744769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.744769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.744769 (E_RNA) where: Base-Base interactions energy: -104.338 where: short stacking energy: -57.341 Base-Backbone interact. energy: -0.134 local terms energy: -63.272778 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -11.518 tors. eta vs tors. theta energy: -15.130 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: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -149.946358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.946358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.946358 (E_RNA) where: Base-Base interactions energy: -95.270 where: short stacking energy: -42.462 Base-Backbone interact. energy: -0.526 local terms energy: -54.150619 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -11.747 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -164.377621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.377621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.377621 (E_RNA) where: Base-Base interactions energy: -99.974 where: short stacking energy: -59.688 Base-Backbone interact. energy: -0.059 local terms energy: -64.344192 where: bonds (distance) C4'-P energy: -10.301 bonds (distance) P-C4' energy: -15.867 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -14.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -141.506896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.506896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.506896 (E_RNA) where: Base-Base interactions energy: -91.866 where: short stacking energy: -51.588 Base-Backbone interact. energy: 1.370 local terms energy: -51.010799 where: bonds (distance) C4'-P energy: -9.773 bonds (distance) P-C4' energy: -13.947 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -9.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -100.663586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.663586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.663586 (E_RNA) where: Base-Base interactions energy: -46.087 where: short stacking energy: -31.796 Base-Backbone interact. energy: -0.170 local terms energy: -54.406404 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -5.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -83.895081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.895081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.895081 (E_RNA) where: Base-Base interactions energy: -36.546 where: short stacking energy: -22.773 Base-Backbone interact. energy: -0.042 local terms energy: -47.307646 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -2.301 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: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -189.443509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.443509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.443509 (E_RNA) where: Base-Base interactions energy: -117.664 where: short stacking energy: -59.963 Base-Backbone interact. energy: -0.752 local terms energy: -71.027492 where: bonds (distance) C4'-P energy: -13.972 bonds (distance) P-C4' energy: -14.947 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -12.890 tors. eta vs tors. theta energy: -14.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -177.150857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.150857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.150857 (E_RNA) where: Base-Base interactions energy: -107.127 where: short stacking energy: -65.279 Base-Backbone interact. energy: -0.005 local terms energy: -70.018642 where: bonds (distance) C4'-P energy: -16.111 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -13.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -189.964701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.964701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.964701 (E_RNA) where: Base-Base interactions energy: -111.796 where: short stacking energy: -69.909 Base-Backbone interact. energy: -0.703 local terms energy: -77.466692 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -15.651 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -12.074 tors. eta vs tors. theta energy: -23.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -160.358824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.358824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.358824 (E_RNA) where: Base-Base interactions energy: -101.843 where: short stacking energy: -47.965 Base-Backbone interact. energy: -0.282 local terms energy: -58.234146 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -14.965 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -162.966332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.966332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.966332 (E_RNA) where: Base-Base interactions energy: -98.123 where: short stacking energy: -50.820 Base-Backbone interact. energy: -0.050 local terms energy: -64.793556 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -13.273 flat angles C4'-P-C4' energy: -15.779 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -11.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -153.501825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.501825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.501825 (E_RNA) where: Base-Base interactions energy: -93.967 where: short stacking energy: -44.793 Base-Backbone interact. energy: -0.199 local terms energy: -59.335132 where: bonds (distance) C4'-P energy: -16.103 bonds (distance) P-C4' energy: -8.085 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -11.080 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: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -161.458199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.458199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.458199 (E_RNA) where: Base-Base interactions energy: -97.474 where: short stacking energy: -54.684 Base-Backbone interact. energy: -0.371 local terms energy: -63.613219 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -17.352 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -13.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -133.419067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.419067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.419067 (E_RNA) where: Base-Base interactions energy: -80.792 where: short stacking energy: -29.973 Base-Backbone interact. energy: 0.373 local terms energy: -53.000505 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -94.048834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.048834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.048834 (E_RNA) where: Base-Base interactions energy: -48.653 where: short stacking energy: -44.593 Base-Backbone interact. energy: -0.166 local terms energy: -45.230111 where: bonds (distance) C4'-P energy: -9.541 bonds (distance) P-C4' energy: -15.676 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -75.745423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.745423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.745423 (E_RNA) where: Base-Base interactions energy: -25.074 where: short stacking energy: -21.861 Base-Backbone interact. energy: 1.204 local terms energy: -51.874805 where: bonds (distance) C4'-P energy: -12.112 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -10.257 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -184.402325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.402325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.402325 (E_RNA) where: Base-Base interactions energy: -107.985 where: short stacking energy: -60.607 Base-Backbone interact. energy: -0.291 local terms energy: -76.127259 where: bonds (distance) C4'-P energy: -17.655 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -12.864 tors. eta vs tors. theta energy: -14.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -194.756015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.756015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.756015 (E_RNA) where: Base-Base interactions energy: -117.266 where: short stacking energy: -64.798 Base-Backbone interact. energy: -0.058 local terms energy: -77.432500 where: bonds (distance) C4'-P energy: -16.272 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -18.518 flat angles P-C4'-P energy: -11.899 tors. eta vs tors. theta energy: -17.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -173.951461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.951461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.951461 (E_RNA) where: Base-Base interactions energy: -103.471 where: short stacking energy: -59.145 Base-Backbone interact. energy: -0.038 local terms energy: -70.442397 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -16.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -177.979375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.979375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.979375 (E_RNA) where: Base-Base interactions energy: -102.828 where: short stacking energy: -67.822 Base-Backbone interact. energy: -0.006 local terms energy: -75.145054 where: bonds (distance) C4'-P energy: -16.065 bonds (distance) P-C4' energy: -15.418 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -158.917989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.917989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.917989 (E_RNA) where: Base-Base interactions energy: -93.896 where: short stacking energy: -43.614 Base-Backbone interact. energy: -0.235 local terms energy: -64.786888 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -10.894 flat angles C4'-P-C4' energy: -16.876 flat angles P-C4'-P energy: -13.396 tors. eta vs tors. theta energy: -9.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -155.229953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.229953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.229953 (E_RNA) where: Base-Base interactions energy: -90.645 where: short stacking energy: -43.339 Base-Backbone interact. energy: -0.074 local terms energy: -64.511384 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -12.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -163.352389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.352389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.352389 (E_RNA) where: Base-Base interactions energy: -109.697 where: short stacking energy: -46.229 Base-Backbone interact. energy: -0.817 local terms energy: -52.838640 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -137.434410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.434410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.434410 (E_RNA) where: Base-Base interactions energy: -79.564 where: short stacking energy: -39.544 Base-Backbone interact. energy: 2.249 local terms energy: -60.119261 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -10.890 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -92.064065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.064065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.064065 (E_RNA) where: Base-Base interactions energy: -37.167 where: short stacking energy: -36.296 Base-Backbone interact. energy: 0.384 local terms energy: -55.281089 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -16.557 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -5.616 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: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -73.380409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.380409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.380409 (E_RNA) where: Base-Base interactions energy: -29.087 where: short stacking energy: -29.787 Base-Backbone interact. energy: 0.523 local terms energy: -44.816125 where: bonds (distance) C4'-P energy: -11.142 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -199.326873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.326873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.326873 (E_RNA) where: Base-Base interactions energy: -125.555 where: short stacking energy: -63.170 Base-Backbone interact. energy: -0.026 local terms energy: -73.745753 where: bonds (distance) C4'-P energy: -16.723 bonds (distance) P-C4' energy: -16.619 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -187.226645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.226645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.226645 (E_RNA) where: Base-Base interactions energy: -114.707 where: short stacking energy: -67.858 Base-Backbone interact. energy: -0.102 local terms energy: -72.417587 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -12.013 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -22.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -170.974588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.974588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.974588 (E_RNA) where: Base-Base interactions energy: -104.001 where: short stacking energy: -49.645 Base-Backbone interact. energy: 0.295 local terms energy: -67.268870 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -16.751 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -11.355 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: 304 Temperature: 1.050000 Total energy: -180.543152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.543152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.543152 (E_RNA) where: Base-Base interactions energy: -102.622 where: short stacking energy: -63.680 Base-Backbone interact. energy: -0.465 local terms energy: -77.455891 where: bonds (distance) C4'-P energy: -15.254 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -15.581 flat angles P-C4'-P energy: -12.506 tors. eta vs tors. theta energy: -19.459 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: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -151.292373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.292373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.292373 (E_RNA) where: Base-Base interactions energy: -87.704 where: short stacking energy: -43.713 Base-Backbone interact. energy: -0.027 local terms energy: -63.561282 where: bonds (distance) C4'-P energy: -16.334 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -10.643 tors. eta vs tors. theta energy: -6.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -146.887483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.887483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.887483 (E_RNA) where: Base-Base interactions energy: -90.945 where: short stacking energy: -49.660 Base-Backbone interact. energy: -0.083 local terms energy: -55.858849 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -16.765 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -7.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -147.831456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.831456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.831456 (E_RNA) where: Base-Base interactions energy: -91.021 where: short stacking energy: -44.411 Base-Backbone interact. energy: 1.777 local terms energy: -58.586775 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -12.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -142.349081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.349081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.349081 (E_RNA) where: Base-Base interactions energy: -84.841 where: short stacking energy: -44.976 Base-Backbone interact. energy: -0.054 local terms energy: -57.454550 where: bonds (distance) C4'-P energy: -12.182 bonds (distance) P-C4' energy: -16.967 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -7.742 tors. eta vs tors. theta energy: -8.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -107.779408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.779408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.779408 (E_RNA) where: Base-Base interactions energy: -57.334 where: short stacking energy: -29.992 Base-Backbone interact. energy: -0.178 local terms energy: -50.267525 where: bonds (distance) C4'-P energy: -9.262 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -78.598187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.598187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.598187 (E_RNA) where: Base-Base interactions energy: -35.561 where: short stacking energy: -34.429 Base-Backbone interact. energy: -0.377 local terms energy: -42.659875 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -199.277985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.277985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.277985 (E_RNA) where: Base-Base interactions energy: -121.012 where: short stacking energy: -72.714 Base-Backbone interact. energy: -0.032 local terms energy: -78.233684 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -16.823 flat angles C4'-P-C4' energy: -16.798 flat angles P-C4'-P energy: -12.023 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -176.640657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.640657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.640657 (E_RNA) where: Base-Base interactions energy: -110.515 where: short stacking energy: -64.743 Base-Backbone interact. energy: -0.079 local terms energy: -66.046487 where: bonds (distance) C4'-P energy: -16.024 bonds (distance) P-C4' energy: -12.471 flat angles C4'-P-C4' energy: -17.266 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -11.399 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: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -185.514944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.514944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.514944 (E_RNA) where: Base-Base interactions energy: -113.325 where: short stacking energy: -62.933 Base-Backbone interact. energy: -0.156 local terms energy: -72.034048 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -10.728 tors. eta vs tors. theta energy: -17.691 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: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -168.048430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.048430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.048430 (E_RNA) where: Base-Base interactions energy: -95.494 where: short stacking energy: -56.459 Base-Backbone interact. energy: -0.151 local terms energy: -72.403879 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -15.490 flat angles C4'-P-C4' energy: -16.096 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -14.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -157.069682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.069682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.069682 (E_RNA) where: Base-Base interactions energy: -90.322 where: short stacking energy: -44.695 Base-Backbone interact. energy: -0.036 local terms energy: -66.711061 where: bonds (distance) C4'-P energy: -15.986 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -11.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -155.942796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.942796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.942796 (E_RNA) where: Base-Base interactions energy: -94.576 where: short stacking energy: -46.122 Base-Backbone interact. energy: -0.215 local terms energy: -61.152097 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -17.523 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -9.512 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: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -151.433372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.433372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.433372 (E_RNA) where: Base-Base interactions energy: -94.073 where: short stacking energy: -49.352 Base-Backbone interact. energy: -1.248 local terms energy: -56.112298 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -4.745 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: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -93.200959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.200959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.200959 (E_RNA) where: Base-Base interactions energy: -47.428 where: short stacking energy: -27.988 Base-Backbone interact. energy: -0.128 local terms energy: -45.645123 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -13.652 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -2.275 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: 305 Temperature: 1.300000 Total energy: -139.024151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.024151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.024151 (E_RNA) where: Base-Base interactions energy: -88.649 where: short stacking energy: -47.366 Base-Backbone interact. energy: 0.077 local terms energy: -50.451870 where: bonds (distance) C4'-P energy: -14.062 bonds (distance) P-C4' energy: -8.197 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -11.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -75.400355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.400355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.400355 (E_RNA) where: Base-Base interactions energy: -27.552 where: short stacking energy: -26.048 Base-Backbone interact. energy: 0.125 local terms energy: -47.973925 where: bonds (distance) C4'-P energy: -14.946 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -183.142829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.142829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.142829 (E_RNA) where: Base-Base interactions energy: -113.374 where: short stacking energy: -68.837 Base-Backbone interact. energy: -0.001 local terms energy: -69.768409 where: bonds (distance) C4'-P energy: -16.801 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -193.835009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.835009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.835009 (E_RNA) where: Base-Base interactions energy: -115.140 where: short stacking energy: -69.162 Base-Backbone interact. energy: -0.024 local terms energy: -78.670369 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -17.389 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -12.344 tors. eta vs tors. theta energy: -19.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -169.665126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.665126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.665126 (E_RNA) where: Base-Base interactions energy: -99.200 where: short stacking energy: -53.557 Base-Backbone interact. energy: -0.102 local terms energy: -70.363807 where: bonds (distance) C4'-P energy: -15.129 bonds (distance) P-C4' energy: -15.385 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -13.327 tors. eta vs tors. theta energy: -11.203 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: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -176.503859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.503859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.503859 (E_RNA) where: Base-Base interactions energy: -102.779 where: short stacking energy: -59.545 Base-Backbone interact. energy: -0.017 local terms energy: -73.707899 where: bonds (distance) C4'-P energy: -18.102 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -15.885 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -17.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -157.793276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.793276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.793276 (E_RNA) where: Base-Base interactions energy: -105.754 where: short stacking energy: -39.481 Base-Backbone interact. energy: -0.022 local terms energy: -52.017626 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -12.864 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -156.505125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.505125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.505125 (E_RNA) where: Base-Base interactions energy: -94.840 where: short stacking energy: -40.200 Base-Backbone interact. energy: -0.689 local terms energy: -60.975531 where: bonds (distance) C4'-P energy: -10.535 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -11.051 tors. eta vs tors. theta energy: -11.920 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: 306 Temperature: 1.200000 Total energy: -165.301292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.301292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.301292 (E_RNA) where: Base-Base interactions energy: -99.294 where: short stacking energy: -52.561 Base-Backbone interact. energy: -0.238 local terms energy: -65.769353 where: bonds (distance) C4'-P energy: -16.429 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -13.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -85.482201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.482201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.482201 (E_RNA) where: Base-Base interactions energy: -33.340 where: short stacking energy: -33.190 Base-Backbone interact. energy: 0.317 local terms energy: -52.459030 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -12.901 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -9.783 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -133.524823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.524823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.524823 (E_RNA) where: Base-Base interactions energy: -83.418 where: short stacking energy: -39.066 Base-Backbone interact. energy: -0.102 local terms energy: -50.004760 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -79.115632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.115632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.115632 (E_RNA) where: Base-Base interactions energy: -35.801 where: short stacking energy: -35.801 Base-Backbone interact. energy: -0.113 local terms energy: -43.201251 where: bonds (distance) C4'-P energy: -7.039 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -175.656659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.656659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.656659 (E_RNA) where: Base-Base interactions energy: -111.544 where: short stacking energy: -53.691 Base-Backbone interact. energy: -0.838 local terms energy: -63.274287 where: bonds (distance) C4'-P energy: -15.672 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -16.916 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -195.226355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.226355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.226355 (E_RNA) where: Base-Base interactions energy: -118.093 where: short stacking energy: -71.457 Base-Backbone interact. energy: -0.426 local terms energy: -76.706444 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -15.429 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -13.088 tors. eta vs tors. theta energy: -19.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -169.669985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.669985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.669985 (E_RNA) where: Base-Base interactions energy: -104.533 where: short stacking energy: -56.430 Base-Backbone interact. energy: -0.005 local terms energy: -65.132588 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -14.700 flat angles C4'-P-C4' energy: -17.118 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -11.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -172.284171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.284171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.284171 (E_RNA) where: Base-Base interactions energy: -104.805 where: short stacking energy: -60.795 Base-Backbone interact. energy: -0.050 local terms energy: -67.429509 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -13.703 flat angles C4'-P-C4' energy: -16.765 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -174.220383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.220383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.220383 (E_RNA) where: Base-Base interactions energy: -103.539 where: short stacking energy: -60.227 Base-Backbone interact. energy: -0.231 local terms energy: -70.450156 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -15.078 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -11.736 tors. eta vs tors. theta energy: -17.044 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: 6, replica: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -165.300279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.300279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.300279 (E_RNA) where: Base-Base interactions energy: -104.407 where: short stacking energy: -63.696 Base-Backbone interact. energy: -0.097 local terms energy: -60.795465 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -10.093 flat angles C4'-P-C4' energy: -17.547 flat angles P-C4'-P energy: -1.961 tors. eta vs tors. theta energy: -16.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -144.943977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.943977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.943977 (E_RNA) where: Base-Base interactions energy: -88.639 where: short stacking energy: -38.309 Base-Backbone interact. energy: 0.353 local terms energy: -56.658002 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -15.516 flat angles P-C4'-P energy: -10.379 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -153.182125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.182125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.182125 (E_RNA) where: Base-Base interactions energy: -91.485 where: short stacking energy: -46.365 Base-Backbone interact. energy: -0.146 local terms energy: -61.550875 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -10.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -79.137020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.137020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.137020 (E_RNA) where: Base-Base interactions energy: -33.745 where: short stacking energy: -33.745 Base-Backbone interact. energy: -0.000 local terms energy: -45.391614 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -9.217 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -83.251614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.251614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.251614 (E_RNA) where: Base-Base interactions energy: -35.032 where: short stacking energy: -35.032 Base-Backbone interact. energy: -0.061 local terms energy: -48.157823 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -9.853 flat angles C4'-P-C4' energy: -8.311 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -7.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -189.587295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.587295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.587295 (E_RNA) where: Base-Base interactions energy: -113.281 where: short stacking energy: -70.029 Base-Backbone interact. energy: -0.034 local terms energy: -76.272775 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -15.722 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -21.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -176.272635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.272635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.272635 (E_RNA) where: Base-Base interactions energy: -106.105 where: short stacking energy: -65.486 Base-Backbone interact. energy: -0.045 local terms energy: -70.122911 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -177.087856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.087856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.087856 (E_RNA) where: Base-Base interactions energy: -101.816 where: short stacking energy: -58.790 Base-Backbone interact. energy: -0.041 local terms energy: -75.230681 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -13.594 tors. eta vs tors. theta energy: -16.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -170.352172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.352172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.352172 (E_RNA) where: Base-Base interactions energy: -100.932 where: short stacking energy: -55.360 Base-Backbone interact. energy: -0.194 local terms energy: -69.226472 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -17.942 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -11.283 tors. eta vs tors. theta energy: -12.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -177.499028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.499028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.499028 (E_RNA) where: Base-Base interactions energy: -114.266 where: short stacking energy: -68.068 Base-Backbone interact. energy: -0.092 local terms energy: -63.140998 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -17.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -160.856520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.856520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.856520 (E_RNA) where: Base-Base interactions energy: -101.975 where: short stacking energy: -61.856 Base-Backbone interact. energy: -0.004 local terms energy: -58.877643 where: bonds (distance) C4'-P energy: -1.641 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -140.714794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.714794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.714794 (E_RNA) where: Base-Base interactions energy: -82.304 where: short stacking energy: -45.086 Base-Backbone interact. energy: -0.505 local terms energy: -57.906275 where: bonds (distance) C4'-P energy: -9.815 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -11.636 tors. eta vs tors. theta energy: -8.293 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: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -144.892234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.892234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.892234 (E_RNA) where: Base-Base interactions energy: -87.251 where: short stacking energy: -48.990 Base-Backbone interact. energy: 1.256 local terms energy: -58.897768 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -9.989 flat angles C4'-P-C4' energy: -16.720 flat angles P-C4'-P energy: -13.179 tors. eta vs tors. theta energy: -8.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -85.957878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.957878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.957878 (E_RNA) where: Base-Base interactions energy: -36.562 where: short stacking energy: -19.109 Base-Backbone interact. energy: -0.623 local terms energy: -48.772575 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -9.486 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -90.740679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.740679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.740679 (E_RNA) where: Base-Base interactions energy: -44.512 where: short stacking energy: -29.319 Base-Backbone interact. energy: -0.295 local terms energy: -45.933799 where: bonds (distance) C4'-P energy: -16.545 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -9.204 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -209.359332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.359332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.359332 (E_RNA) where: Base-Base interactions energy: -124.610 where: short stacking energy: -80.209 Base-Backbone interact. energy: -0.054 local terms energy: -84.695273 where: bonds (distance) C4'-P energy: -16.677 bonds (distance) P-C4' energy: -14.136 flat angles C4'-P-C4' energy: -17.140 flat angles P-C4'-P energy: -13.188 tors. eta vs tors. theta energy: -23.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -183.641632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.641632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.641632 (E_RNA) where: Base-Base interactions energy: -107.846 where: short stacking energy: -65.645 Base-Backbone interact. energy: -0.096 local terms energy: -75.700256 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -12.328 tors. eta vs tors. theta energy: -18.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -163.011541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.011541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.011541 (E_RNA) where: Base-Base interactions energy: -103.851 where: short stacking energy: -54.417 Base-Backbone interact. energy: -0.025 local terms energy: -59.136005 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -13.615 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -9.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -177.578875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.578875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.578875 (E_RNA) where: Base-Base interactions energy: -104.711 where: short stacking energy: -57.136 Base-Backbone interact. energy: 0.303 local terms energy: -73.170810 where: bonds (distance) C4'-P energy: -16.271 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -18.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -158.568375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.568375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.568375 (E_RNA) where: Base-Base interactions energy: -93.995 where: short stacking energy: -48.916 Base-Backbone interact. energy: -0.043 local terms energy: -64.530293 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -16.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -161.857454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.857454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.857454 (E_RNA) where: Base-Base interactions energy: -102.027 where: short stacking energy: -47.799 Base-Backbone interact. energy: -0.004 local terms energy: -59.826661 where: bonds (distance) C4'-P energy: -16.119 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -8.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -166.176363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.176363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.176363 (E_RNA) where: Base-Base interactions energy: -104.204 where: short stacking energy: -54.518 Base-Backbone interact. energy: -0.306 local terms energy: -61.666362 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -13.682 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: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -89.112703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.112703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.112703 (E_RNA) where: Base-Base interactions energy: -42.766 where: short stacking energy: -22.532 Base-Backbone interact. energy: -0.308 local terms energy: -46.038387 where: bonds (distance) C4'-P energy: -15.197 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -139.205649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.205649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.205649 (E_RNA) where: Base-Base interactions energy: -90.894 where: short stacking energy: -50.907 Base-Backbone interact. energy: -0.306 local terms energy: -48.005799 where: bonds (distance) C4'-P energy: -10.532 bonds (distance) P-C4' energy: -2.943 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -12.365 tors. eta vs tors. theta energy: -10.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -75.836383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.836383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.836383 (E_RNA) where: Base-Base interactions energy: -30.076 where: short stacking energy: -27.577 Base-Backbone interact. energy: -0.286 local terms energy: -45.475014 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -1.159 flat angles P-C4'-P energy: -12.257 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -193.316988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.316988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.316988 (E_RNA) where: Base-Base interactions energy: -110.554 where: short stacking energy: -58.607 Base-Backbone interact. energy: -0.042 local terms energy: -82.720568 where: bonds (distance) C4'-P energy: -17.195 bonds (distance) P-C4' energy: -18.669 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -11.099 tors. eta vs tors. theta energy: -22.121 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: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -183.478461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.478461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.478461 (E_RNA) where: Base-Base interactions energy: -113.481 where: short stacking energy: -56.088 Base-Backbone interact. energy: -0.448 local terms energy: -69.549602 where: bonds (distance) C4'-P energy: -13.048 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -12.694 tors. eta vs tors. theta energy: -14.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -193.672259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.672259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.672259 (E_RNA) where: Base-Base interactions energy: -125.886 where: short stacking energy: -58.029 Base-Backbone interact. energy: -0.538 local terms energy: -67.248096 where: bonds (distance) C4'-P energy: -16.065 bonds (distance) P-C4' energy: -15.894 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -165.532848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.532848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.532848 (E_RNA) where: Base-Base interactions energy: -96.889 where: short stacking energy: -53.336 Base-Backbone interact. energy: -0.148 local terms energy: -68.495145 where: bonds (distance) C4'-P energy: -16.557 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: -14.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -172.151012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.151012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.151012 (E_RNA) where: Base-Base interactions energy: -106.246 where: short stacking energy: -50.526 Base-Backbone interact. energy: -0.035 local terms energy: -65.870743 where: bonds (distance) C4'-P energy: -16.074 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -11.441 tors. eta vs tors. theta energy: -11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -156.196208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.196208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.196208 (E_RNA) where: Base-Base interactions energy: -94.330 where: short stacking energy: -53.993 Base-Backbone interact. energy: -0.059 local terms energy: -61.807422 where: bonds (distance) C4'-P energy: -9.106 bonds (distance) P-C4' energy: -13.315 flat angles C4'-P-C4' energy: -17.218 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -14.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -155.081461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.081461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.081461 (E_RNA) where: Base-Base interactions energy: -93.754 where: short stacking energy: -50.214 Base-Backbone interact. energy: 1.079 local terms energy: -62.407146 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -13.516 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: 310 Temperature: 1.250000 Total energy: -88.780967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.780967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.780967 (E_RNA) where: Base-Base interactions energy: -33.630 where: short stacking energy: -33.630 Base-Backbone interact. energy: -0.025 local terms energy: -55.126001 where: bonds (distance) C4'-P energy: -15.072 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -101.415481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.415481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.415481 (E_RNA) where: Base-Base interactions energy: -44.952 where: short stacking energy: -44.952 Base-Backbone interact. energy: 0.617 local terms energy: -57.080676 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -17.010 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -146.567897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.567897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.567897 (E_RNA) where: Base-Base interactions energy: -91.290 where: short stacking energy: -45.231 Base-Backbone interact. energy: -0.187 local terms energy: -55.091283 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -211.737425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.737425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.737425 (E_RNA) where: Base-Base interactions energy: -133.915 where: short stacking energy: -65.504 Base-Backbone interact. energy: -0.199 local terms energy: -77.623327 where: bonds (distance) C4'-P energy: -15.373 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -16.810 flat angles P-C4'-P energy: -11.420 tors. eta vs tors. theta energy: -18.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -192.666319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.666319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.666319 (E_RNA) where: Base-Base interactions energy: -122.245 where: short stacking energy: -62.883 Base-Backbone interact. energy: -0.037 local terms energy: -70.383955 where: bonds (distance) C4'-P energy: -15.693 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -12.364 tors. eta vs tors. theta energy: -13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -188.833316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.833316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.833316 (E_RNA) where: Base-Base interactions energy: -110.132 where: short stacking energy: -56.565 Base-Backbone interact. energy: -0.693 local terms energy: -78.008594 where: bonds (distance) C4'-P energy: -16.636 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -16.111 flat angles P-C4'-P energy: -12.830 tors. eta vs tors. theta energy: -17.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -179.752751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.752751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.752751 (E_RNA) where: Base-Base interactions energy: -108.387 where: short stacking energy: -63.753 Base-Backbone interact. energy: -0.104 local terms energy: -71.261764 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -16.537 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -13.137 tors. eta vs tors. theta energy: -14.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -161.244928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.244928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.244928 (E_RNA) where: Base-Base interactions energy: -91.870 where: short stacking energy: -48.014 Base-Backbone interact. energy: -0.267 local terms energy: -69.108097 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -17.626 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -11.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -162.989041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.989041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.989041 (E_RNA) where: Base-Base interactions energy: -93.931 where: short stacking energy: -56.737 Base-Backbone interact. energy: -0.009 local terms energy: -69.049821 where: bonds (distance) C4'-P energy: -13.892 bonds (distance) P-C4' energy: -17.393 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -14.494 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: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -159.126235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.126235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.126235 (E_RNA) where: Base-Base interactions energy: -98.011 where: short stacking energy: -51.430 Base-Backbone interact. energy: -0.033 local terms energy: -61.082576 where: bonds (distance) C4'-P energy: -10.538 bonds (distance) P-C4' energy: -16.393 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -14.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -96.799205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.799205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.799205 (E_RNA) where: Base-Base interactions energy: -42.696 where: short stacking energy: -23.682 Base-Backbone interact. energy: -0.053 local terms energy: -54.049561 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -11.686 flat angles C4'-P-C4' energy: -16.253 flat angles P-C4'-P energy: -8.876 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -87.630384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.630384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.630384 (E_RNA) where: Base-Base interactions energy: -34.550 where: short stacking energy: -34.550 Base-Backbone interact. energy: -0.044 local terms energy: -53.037107 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -132.802683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.802683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.802683 (E_RNA) where: Base-Base interactions energy: -77.050 where: short stacking energy: -43.741 Base-Backbone interact. energy: -0.644 local terms energy: -55.108298 where: bonds (distance) C4'-P energy: -13.201 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -13.121 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -11.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -204.318105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.318105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.318105 (E_RNA) where: Base-Base interactions energy: -137.884 where: short stacking energy: -51.186 Base-Backbone interact. energy: -0.093 local terms energy: -66.341001 where: bonds (distance) C4'-P energy: -16.314 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -12.912 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: 2, replica: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -209.475295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.475295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.475295 (E_RNA) where: Base-Base interactions energy: -138.042 where: short stacking energy: -70.654 Base-Backbone interact. energy: -0.950 local terms energy: -70.483663 where: bonds (distance) C4'-P energy: -15.746 bonds (distance) P-C4' energy: -9.520 flat angles C4'-P-C4' energy: -15.912 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -17.779 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: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -171.442960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.442960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.442960 (E_RNA) where: Base-Base interactions energy: -99.607 where: short stacking energy: -56.227 Base-Backbone interact. energy: -0.425 local terms energy: -71.410694 where: bonds (distance) C4'-P energy: -16.380 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -17.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -165.562646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.562646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.562646 (E_RNA) where: Base-Base interactions energy: -100.332 where: short stacking energy: -59.510 Base-Backbone interact. energy: -0.961 local terms energy: -64.270486 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -12.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -177.657502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.657502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.657502 (E_RNA) where: Base-Base interactions energy: -110.345 where: short stacking energy: -58.327 Base-Backbone interact. energy: -0.011 local terms energy: -67.301428 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -17.172 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -14.595 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: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -154.466187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.466187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.466187 (E_RNA) where: Base-Base interactions energy: -93.476 where: short stacking energy: -47.191 Base-Backbone interact. energy: -0.201 local terms energy: -60.788584 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -13.776 tors. eta vs tors. theta energy: -7.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -164.099856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.099856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.099856 (E_RNA) where: Base-Base interactions energy: -101.099 where: short stacking energy: -49.792 Base-Backbone interact. energy: -0.013 local terms energy: -62.987187 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -11.434 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -82.737955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.737955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.737955 (E_RNA) where: Base-Base interactions energy: -35.884 where: short stacking energy: -35.044 Base-Backbone interact. energy: -0.020 local terms energy: -46.833563 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -17.491 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -2.115 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: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -142.329684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.329684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.329684 (E_RNA) where: Base-Base interactions energy: -91.541 where: short stacking energy: -44.987 Base-Backbone interact. energy: 0.767 local terms energy: -51.556135 where: bonds (distance) C4'-P energy: -15.188 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -10.177 flat angles P-C4'-P energy: -0.783 tors. eta vs tors. theta energy: -10.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -77.726299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.726299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.726299 (E_RNA) where: Base-Base interactions energy: -28.598 where: short stacking energy: -28.386 Base-Backbone interact. energy: -0.090 local terms energy: -49.038674 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -208.887569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.887569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.887569 (E_RNA) where: Base-Base interactions energy: -139.191 where: short stacking energy: -61.184 Base-Backbone interact. energy: 0.637 local terms energy: -70.333187 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -14.035 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -14.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -205.743908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.743908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.743908 (E_RNA) where: Base-Base interactions energy: -140.505 where: short stacking energy: -62.030 Base-Backbone interact. energy: -0.342 local terms energy: -64.896663 where: bonds (distance) C4'-P energy: -11.298 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -12.682 tors. eta vs tors. theta energy: -13.362 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: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -182.236209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.236209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.236209 (E_RNA) where: Base-Base interactions energy: -114.849 where: short stacking energy: -49.795 Base-Backbone interact. energy: -0.053 local terms energy: -67.333685 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -17.054 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -12.259 tors. eta vs tors. theta energy: -9.335 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: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -177.985704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.985704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.985704 (E_RNA) where: Base-Base interactions energy: -109.452 where: short stacking energy: -53.441 Base-Backbone interact. energy: -0.468 local terms energy: -68.066411 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -17.083 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -11.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -154.944518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.944518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.944518 (E_RNA) where: Base-Base interactions energy: -96.075 where: short stacking energy: -53.855 Base-Backbone interact. energy: -0.015 local terms energy: -58.853786 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -11.407 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -153.934121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.934121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.934121 (E_RNA) where: Base-Base interactions energy: -93.325 where: short stacking energy: -46.152 Base-Backbone interact. energy: -0.003 local terms energy: -60.606265 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -15.958 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -11.535 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: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -154.031877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.031877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.031877 (E_RNA) where: Base-Base interactions energy: -91.674 where: short stacking energy: -48.345 Base-Backbone interact. energy: -0.013 local terms energy: -62.345472 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -10.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -144.030510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.030510 (E_RNA) where: Base-Base interactions energy: -82.976 where: short stacking energy: -40.195 Base-Backbone interact. energy: -0.571 local terms energy: -60.483460 where: bonds (distance) C4'-P energy: -15.788 bonds (distance) P-C4' energy: -14.929 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -91.164982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.164982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.164982 (E_RNA) where: Base-Base interactions energy: -30.805 where: short stacking energy: -30.662 Base-Backbone interact. energy: -0.079 local terms energy: -60.280818 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -13.435 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -10.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -79.278537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.278537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.278537 (E_RNA) where: Base-Base interactions energy: -31.717 where: short stacking energy: -21.594 Base-Backbone interact. energy: -0.443 local terms energy: -47.118482 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -199.554372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.554372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.554372 (E_RNA) where: Base-Base interactions energy: -128.452 where: short stacking energy: -57.304 Base-Backbone interact. energy: -0.071 local terms energy: -71.032117 where: bonds (distance) C4'-P energy: -17.542 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -16.832 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: -9.835 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: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -205.851127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.851127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.851127 (E_RNA) where: Base-Base interactions energy: -136.836 where: short stacking energy: -58.639 Base-Backbone interact. energy: -0.022 local terms energy: -68.993490 where: bonds (distance) C4'-P energy: -17.315 bonds (distance) P-C4' energy: -13.851 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -175.267663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.267663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.267663 (E_RNA) where: Base-Base interactions energy: -118.044 where: short stacking energy: -51.115 Base-Backbone interact. energy: -0.852 local terms energy: -56.371636 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -6.364 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: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -179.878686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.878686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.878686 (E_RNA) where: Base-Base interactions energy: -104.836 where: short stacking energy: -62.179 Base-Backbone interact. energy: -0.004 local terms energy: -75.038106 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -17.211 flat angles C4'-P-C4' energy: -16.465 flat angles P-C4'-P energy: -12.296 tors. eta vs tors. theta energy: -15.088 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: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -164.161586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.161586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.161586 (E_RNA) where: Base-Base interactions energy: -95.122 where: short stacking energy: -56.123 Base-Backbone interact. energy: -0.261 local terms energy: -68.778148 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -9.889 tors. eta vs tors. theta energy: -16.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -158.585610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.585610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.585610 (E_RNA) where: Base-Base interactions energy: -93.319 where: short stacking energy: -54.810 Base-Backbone interact. energy: -0.034 local terms energy: -65.231801 where: bonds (distance) C4'-P energy: -11.949 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -17.152 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -11.298 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: 314 Temperature: 1.200000 Total energy: -143.740169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.740169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.740169 (E_RNA) where: Base-Base interactions energy: -92.848 where: short stacking energy: -50.042 Base-Backbone interact. energy: -0.398 local terms energy: -50.493387 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -10.576 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -9.656 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: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -155.944589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.944589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.944589 (E_RNA) where: Base-Base interactions energy: -96.743 where: short stacking energy: -56.111 Base-Backbone interact. energy: -0.155 local terms energy: -59.046637 where: bonds (distance) C4'-P energy: -6.609 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -10.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -86.267343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.267343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.267343 (E_RNA) where: Base-Base interactions energy: -36.816 where: short stacking energy: -14.817 Base-Backbone interact. energy: -0.193 local terms energy: -49.258470 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -86.251209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.251209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.251209 (E_RNA) where: Base-Base interactions energy: -42.938 where: short stacking energy: -34.514 Base-Backbone interact. energy: -0.121 local terms energy: -43.192509 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -3.370 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: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -198.900921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.900921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.900921 (E_RNA) where: Base-Base interactions energy: -128.404 where: short stacking energy: -60.194 Base-Backbone interact. energy: -0.033 local terms energy: -70.464626 where: bonds (distance) C4'-P energy: -17.862 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -16.736 flat angles P-C4'-P energy: -11.095 tors. eta vs tors. theta energy: -11.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -178.419468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.419468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.419468 (E_RNA) where: Base-Base interactions energy: -112.450 where: short stacking energy: -66.355 Base-Backbone interact. energy: -0.035 local terms energy: -65.934772 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -15.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -196.239784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.239784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.239784 (E_RNA) where: Base-Base interactions energy: -121.910 where: short stacking energy: -65.166 Base-Backbone interact. energy: -0.218 local terms energy: -74.111799 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -16.358 flat angles C4'-P-C4' energy: -15.518 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -168.324351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.324351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.324351 (E_RNA) where: Base-Base interactions energy: -98.998 where: short stacking energy: -55.527 Base-Backbone interact. energy: -0.079 local terms energy: -69.247900 where: bonds (distance) C4'-P energy: -14.914 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -15.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -160.597048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.597048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.597048 (E_RNA) where: Base-Base interactions energy: -97.350 where: short stacking energy: -50.596 Base-Backbone interact. energy: -0.169 local terms energy: -63.077801 where: bonds (distance) C4'-P energy: -16.971 bonds (distance) P-C4' energy: -9.967 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -11.271 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: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -160.427852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.427852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.427852 (E_RNA) where: Base-Base interactions energy: -98.659 where: short stacking energy: -51.579 Base-Backbone interact. energy: -0.244 local terms energy: -61.525005 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -15.674 flat angles C4'-P-C4' energy: -15.907 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -12.944 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: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -157.390059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.390059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.390059 (E_RNA) where: Base-Base interactions energy: -95.271 where: short stacking energy: -49.212 Base-Backbone interact. energy: -0.554 local terms energy: -61.565492 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -9.056 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -150.992284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.992284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.992284 (E_RNA) where: Base-Base interactions energy: -89.890 where: short stacking energy: -45.260 Base-Backbone interact. energy: -0.043 local terms energy: -61.059210 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -9.608 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: 315 Temperature: 1.300000 Total energy: -81.622232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.622232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.622232 (E_RNA) where: Base-Base interactions energy: -27.738 where: short stacking energy: -28.440 Base-Backbone interact. energy: -0.213 local terms energy: -53.672030 where: bonds (distance) C4'-P energy: -13.791 bonds (distance) P-C4' energy: -14.675 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -12.756 tors. eta vs tors. theta energy: 0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -81.688285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.688285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.688285 (E_RNA) where: Base-Base interactions energy: -39.886 where: short stacking energy: -26.415 Base-Backbone interact. energy: -0.124 local terms energy: -41.678040 where: bonds (distance) C4'-P energy: -9.372 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -10.545 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -186.879433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.879433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.879433 (E_RNA) where: Base-Base interactions energy: -109.237 where: short stacking energy: -63.691 Base-Backbone interact. energy: 0.031 local terms energy: -77.673872 where: bonds (distance) C4'-P energy: -16.380 bonds (distance) P-C4' energy: -17.252 flat angles C4'-P-C4' energy: -17.889 flat angles P-C4'-P energy: -12.081 tors. eta vs tors. theta energy: -14.072 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: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -199.084862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.084862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.084862 (E_RNA) where: Base-Base interactions energy: -121.761 where: short stacking energy: -75.495 Base-Backbone interact. energy: -0.032 local terms energy: -77.292405 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -15.806 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -13.401 tors. eta vs tors. theta energy: -21.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -202.126507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.126507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.126507 (E_RNA) where: Base-Base interactions energy: -134.821 where: short stacking energy: -61.966 Base-Backbone interact. energy: -0.096 local terms energy: -67.208743 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -20.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -163.229340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.229340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.229340 (E_RNA) where: Base-Base interactions energy: -100.315 where: short stacking energy: -51.012 Base-Backbone interact. energy: 1.072 local terms energy: -63.986669 where: bonds (distance) C4'-P energy: -10.916 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -13.665 tors. eta vs tors. theta energy: -8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -164.847160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.847160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.847160 (E_RNA) where: Base-Base interactions energy: -101.087 where: short stacking energy: -51.373 Base-Backbone interact. energy: -0.690 local terms energy: -63.070332 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -16.921 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -11.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -167.277759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.277759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.277759 (E_RNA) where: Base-Base interactions energy: -96.742 where: short stacking energy: -54.851 Base-Backbone interact. energy: -0.062 local terms energy: -70.473008 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -12.155 tors. eta vs tors. theta energy: -13.375 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: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -161.138609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.138609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.138609 (E_RNA) where: Base-Base interactions energy: -99.092 where: short stacking energy: -54.460 Base-Backbone interact. energy: -0.106 local terms energy: -61.941285 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -12.329 tors. eta vs tors. theta energy: -15.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -141.351615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.351615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.351615 (E_RNA) where: Base-Base interactions energy: -79.744 where: short stacking energy: -41.937 Base-Backbone interact. energy: -0.115 local terms energy: -61.492789 where: bonds (distance) C4'-P energy: -16.101 bonds (distance) P-C4' energy: -15.220 flat angles C4'-P-C4' energy: -15.615 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -89.626472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.626472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.626472 (E_RNA) where: Base-Base interactions energy: -34.934 where: short stacking energy: -34.663 Base-Backbone interact. energy: -0.039 local terms energy: -54.653144 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -9.725 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -8.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -88.369582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.369582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.369582 (E_RNA) where: Base-Base interactions energy: -33.517 where: short stacking energy: -32.357 Base-Backbone interact. energy: -0.217 local terms energy: -54.635422 where: bonds (distance) C4'-P energy: -14.652 bonds (distance) P-C4' energy: -13.400 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -181.313982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.313982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.313982 (E_RNA) where: Base-Base interactions energy: -105.629 where: short stacking energy: -59.732 Base-Backbone interact. energy: -0.022 local terms energy: -75.663609 where: bonds (distance) C4'-P energy: -16.847 bonds (distance) P-C4' energy: -17.552 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -12.559 tors. eta vs tors. theta energy: -12.902 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: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -205.358805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.358805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.358805 (E_RNA) where: Base-Base interactions energy: -138.591 where: short stacking energy: -57.820 Base-Backbone interact. energy: -0.065 local terms energy: -66.703641 where: bonds (distance) C4'-P energy: -15.638 bonds (distance) P-C4' energy: -10.770 flat angles C4'-P-C4' energy: -16.803 flat angles P-C4'-P energy: -12.442 tors. eta vs tors. theta energy: -11.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -186.873483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.873483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.873483 (E_RNA) where: Base-Base interactions energy: -114.397 where: short stacking energy: -65.606 Base-Backbone interact. energy: 0.645 local terms energy: -73.121377 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -17.335 flat angles P-C4'-P energy: -13.510 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -173.500044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.500044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.500044 (E_RNA) where: Base-Base interactions energy: -106.150 where: short stacking energy: -60.855 Base-Backbone interact. energy: 2.827 local terms energy: -70.176746 where: bonds (distance) C4'-P energy: -16.632 bonds (distance) P-C4' energy: -15.860 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -13.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -166.999485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.999485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.999485 (E_RNA) where: Base-Base interactions energy: -101.667 where: short stacking energy: -61.452 Base-Backbone interact. energy: -0.002 local terms energy: -65.330729 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -6.951 tors. eta vs tors. theta energy: -14.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -149.870709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.870709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.870709 (E_RNA) where: Base-Base interactions energy: -102.740 where: short stacking energy: -49.884 Base-Backbone interact. energy: -0.147 local terms energy: -46.983962 where: bonds (distance) C4'-P energy: -7.748 bonds (distance) P-C4' energy: -10.274 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -9.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -155.838754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.838754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.838754 (E_RNA) where: Base-Base interactions energy: -96.864 where: short stacking energy: -46.687 Base-Backbone interact. energy: -0.158 local terms energy: -58.816268 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -10.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -79.190837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.190837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.190837 (E_RNA) where: Base-Base interactions energy: -28.320 where: short stacking energy: -24.294 Base-Backbone interact. energy: -0.184 local terms energy: -50.687153 where: bonds (distance) C4'-P energy: -13.458 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -11.381 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -137.253129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.253129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.253129 (E_RNA) where: Base-Base interactions energy: -82.241 where: short stacking energy: -42.672 Base-Backbone interact. energy: 0.145 local terms energy: -55.156589 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -15.878 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -8.087 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: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -80.309905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.309905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.309905 (E_RNA) where: Base-Base interactions energy: -33.480 where: short stacking energy: -32.099 Base-Backbone interact. energy: -0.081 local terms energy: -46.748883 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -11.069 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -5.063 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: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -203.646274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.646274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.646274 (E_RNA) where: Base-Base interactions energy: -134.123 where: short stacking energy: -61.963 Base-Backbone interact. energy: -0.719 local terms energy: -68.803647 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -19.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -182.735333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.735333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.735333 (E_RNA) where: Base-Base interactions energy: -107.088 where: short stacking energy: -65.738 Base-Backbone interact. energy: 0.193 local terms energy: -75.840464 where: bonds (distance) C4'-P energy: -14.494 bonds (distance) P-C4' energy: -17.262 flat angles C4'-P-C4' energy: -16.266 flat angles P-C4'-P energy: -13.497 tors. eta vs tors. theta energy: -14.322 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: 318 Temperature: 1.000000 Total energy: -180.335116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.335116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.335116 (E_RNA) where: Base-Base interactions energy: -106.878 where: short stacking energy: -69.559 Base-Backbone interact. energy: 0.378 local terms energy: -73.835884 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -18.933 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: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -183.081451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.081451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.081451 (E_RNA) where: Base-Base interactions energy: -112.557 where: short stacking energy: -68.450 Base-Backbone interact. energy: -0.378 local terms energy: -70.146252 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -18.120 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: 318 Temperature: 1.100000 Total energy: -171.810150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.810150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.810150 (E_RNA) where: Base-Base interactions energy: -107.310 where: short stacking energy: -49.778 Base-Backbone interact. energy: -0.129 local terms energy: -64.371752 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -12.492 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -157.490232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.490232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.490232 (E_RNA) where: Base-Base interactions energy: -95.907 where: short stacking energy: -51.296 Base-Backbone interact. energy: -0.050 local terms energy: -61.533237 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -15.555 flat angles C4'-P-C4' energy: -16.429 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -7.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -159.902436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.902436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.902436 (E_RNA) where: Base-Base interactions energy: -99.932 where: short stacking energy: -58.791 Base-Backbone interact. energy: -0.074 local terms energy: -59.896191 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -14.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -86.693666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.693666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.693666 (E_RNA) where: Base-Base interactions energy: -31.347 where: short stacking energy: -20.428 Base-Backbone interact. energy: 0.199 local terms energy: -55.545087 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -99.127195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.127195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.127195 (E_RNA) where: Base-Base interactions energy: -41.596 where: short stacking energy: -41.596 Base-Backbone interact. energy: -0.023 local terms energy: -57.507561 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -136.864441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.864441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.864441 (E_RNA) where: Base-Base interactions energy: -86.646 where: short stacking energy: -40.139 Base-Backbone interact. energy: -0.083 local terms energy: -50.135514 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -8.383 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -205.851345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.851345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.851345 (E_RNA) where: Base-Base interactions energy: -133.251 where: short stacking energy: -55.766 Base-Backbone interact. energy: -0.615 local terms energy: -71.984578 where: bonds (distance) C4'-P energy: -14.248 bonds (distance) P-C4' energy: -17.387 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -13.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -197.011150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.011150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.011150 (E_RNA) where: Base-Base interactions energy: -115.122 where: short stacking energy: -72.479 Base-Backbone interact. energy: -0.043 local terms energy: -81.846147 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -16.237 flat angles C4'-P-C4' energy: -15.755 flat angles P-C4'-P energy: -12.649 tors. eta vs tors. theta energy: -22.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -174.780608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.780608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.780608 (E_RNA) where: Base-Base interactions energy: -101.716 where: short stacking energy: -55.791 Base-Backbone interact. energy: -0.205 local terms energy: -72.859082 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -15.275 flat angles C4'-P-C4' energy: -17.120 flat angles P-C4'-P energy: -12.744 tors. eta vs tors. theta energy: -16.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -203.370725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.370725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.370725 (E_RNA) where: Base-Base interactions energy: -137.336 where: short stacking energy: -66.236 Base-Backbone interact. energy: -1.274 local terms energy: -64.760198 where: bonds (distance) C4'-P energy: -16.056 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -12.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -177.336370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.336370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.336370 (E_RNA) where: Base-Base interactions energy: -104.193 where: short stacking energy: -67.139 Base-Backbone interact. energy: -0.101 local terms energy: -73.041721 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -14.835 flat angles C4'-P-C4' energy: -14.809 flat angles P-C4'-P energy: -12.229 tors. eta vs tors. theta energy: -17.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -159.105526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.105526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.105526 (E_RNA) where: Base-Base interactions energy: -99.272 where: short stacking energy: -33.386 Base-Backbone interact. energy: 0.257 local terms energy: -60.090359 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -10.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -144.266008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.266008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.266008 (E_RNA) where: Base-Base interactions energy: -87.158 where: short stacking energy: -50.854 Base-Backbone interact. energy: -0.043 local terms energy: -57.064648 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -10.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -85.648797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.648797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.648797 (E_RNA) where: Base-Base interactions energy: -36.581 where: short stacking energy: -28.053 Base-Backbone interact. energy: -0.132 local terms energy: -48.935333 where: bonds (distance) C4'-P energy: -15.478 bonds (distance) P-C4' energy: -13.962 flat angles C4'-P-C4' energy: -9.561 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: 1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -84.897820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.897820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.897820 (E_RNA) where: Base-Base interactions energy: -36.092 where: short stacking energy: -33.512 Base-Backbone interact. energy: -0.678 local terms energy: -48.127730 where: bonds (distance) C4'-P energy: -15.217 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: 2.294 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: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -149.817183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.817183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.817183 (E_RNA) where: Base-Base interactions energy: -92.513 where: short stacking energy: -50.782 Base-Backbone interact. energy: -0.294 local terms energy: -57.009714 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -11.094 flat angles P-C4'-P energy: -10.991 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -209.195326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.195326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.195326 (E_RNA) where: Base-Base interactions energy: -141.347 where: short stacking energy: -69.757 Base-Backbone interact. energy: -0.005 local terms energy: -67.842947 where: bonds (distance) C4'-P energy: -9.678 bonds (distance) P-C4' energy: -16.797 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -200.957657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.957657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.957657 (E_RNA) where: Base-Base interactions energy: -121.151 where: short stacking energy: -63.702 Base-Backbone interact. energy: -0.013 local terms energy: -79.793702 where: bonds (distance) C4'-P energy: -13.581 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -15.137 flat angles P-C4'-P energy: -12.383 tors. eta vs tors. theta energy: -20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -219.596176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.596176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.596176 (E_RNA) where: Base-Base interactions energy: -148.197 where: short stacking energy: -72.516 Base-Backbone interact. energy: -1.531 local terms energy: -69.867625 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -11.805 tors. eta vs tors. theta energy: -17.125 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: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -165.768833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.768833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.768833 (E_RNA) where: Base-Base interactions energy: -101.019 where: short stacking energy: -62.243 Base-Backbone interact. energy: -0.176 local terms energy: -64.573230 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -11.726 tors. eta vs tors. theta energy: -12.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -196.189235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.189235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.189235 (E_RNA) where: Base-Base interactions energy: -132.598 where: short stacking energy: -53.432 Base-Backbone interact. energy: -0.206 local terms energy: -63.385636 where: bonds (distance) C4'-P energy: -9.742 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -16.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -186.117163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.117163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.117163 (E_RNA) where: Base-Base interactions energy: -115.849 where: short stacking energy: -54.051 Base-Backbone interact. energy: -0.374 local terms energy: -69.894403 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -16.988 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -14.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -160.166483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.166483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.166483 (E_RNA) where: Base-Base interactions energy: -94.331 where: short stacking energy: -51.523 Base-Backbone interact. energy: -0.017 local terms energy: -65.818174 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -17.952 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -11.706 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: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -96.561541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.561541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.561541 (E_RNA) where: Base-Base interactions energy: -46.885 where: short stacking energy: -42.872 Base-Backbone interact. energy: -0.043 local terms energy: -49.633406 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -0.998 tors. eta vs tors. theta energy: -6.570 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: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -141.563850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.563850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.563850 (E_RNA) where: Base-Base interactions energy: -87.872 where: short stacking energy: -44.754 Base-Backbone interact. energy: -0.094 local terms energy: -53.597724 where: bonds (distance) C4'-P energy: -16.110 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -82.177976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.177976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.177976 (E_RNA) where: Base-Base interactions energy: -37.054 where: short stacking energy: -31.928 Base-Backbone interact. energy: -0.189 local terms energy: -44.934645 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: 0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -207.216944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.216944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.216944 (E_RNA) where: Base-Base interactions energy: -136.207 where: short stacking energy: -62.614 Base-Backbone interact. energy: -0.002 local terms energy: -71.007892 where: bonds (distance) C4'-P energy: -17.779 bonds (distance) P-C4' energy: -14.595 flat angles C4'-P-C4' energy: -17.042 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -233.721955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.721955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.721955 (E_RNA) where: Base-Base interactions energy: -154.499 where: short stacking energy: -75.060 Base-Backbone interact. energy: -0.189 local terms energy: -79.033688 where: bonds (distance) C4'-P energy: -15.459 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -13.284 tors. eta vs tors. theta energy: -18.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -177.201058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.201058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.201058 (E_RNA) where: Base-Base interactions energy: -109.210 where: short stacking energy: -61.889 Base-Backbone interact. energy: 1.201 local terms energy: -69.192705 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -16.821 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -12.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -215.054185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.054185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.054185 (E_RNA) where: Base-Base interactions energy: -148.274 where: short stacking energy: -66.876 Base-Backbone interact. energy: -0.416 local terms energy: -66.364421 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -14.466 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -11.735 tors. eta vs tors. theta energy: -16.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -167.725061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.725061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.725061 (E_RNA) where: Base-Base interactions energy: -104.577 where: short stacking energy: -62.672 Base-Backbone interact. energy: -0.182 local terms energy: -62.965873 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -13.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -160.341977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.341977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.341977 (E_RNA) where: Base-Base interactions energy: -93.931 where: short stacking energy: -57.680 Base-Backbone interact. energy: 0.222 local terms energy: -66.632449 where: bonds (distance) C4'-P energy: -12.111 bonds (distance) P-C4' energy: -13.996 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -18.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -168.217960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.217960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.217960 (E_RNA) where: Base-Base interactions energy: -109.954 where: short stacking energy: -54.569 Base-Backbone interact. energy: -0.259 local terms energy: -58.004636 where: bonds (distance) C4'-P energy: -6.995 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -17.108 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -13.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -147.346832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.346832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.346832 (E_RNA) where: Base-Base interactions energy: -88.969 where: short stacking energy: -39.347 Base-Backbone interact. energy: -0.472 local terms energy: -57.905185 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -17.601 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -10.830 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: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -77.667192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.667192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.667192 (E_RNA) where: Base-Base interactions energy: -32.566 where: short stacking energy: -32.566 Base-Backbone interact. energy: -0.063 local terms energy: -45.038728 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -10.796 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -78.940080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.940080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.940080 (E_RNA) where: Base-Base interactions energy: -20.816 where: short stacking energy: -20.809 Base-Backbone interact. energy: -0.011 local terms energy: -58.113457 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -15.986 flat angles C4'-P-C4' energy: -15.793 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -228.343105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.343105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.343105 (E_RNA) where: Base-Base interactions energy: -148.931 where: short stacking energy: -71.584 Base-Backbone interact. energy: -0.421 local terms energy: -78.991574 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -16.826 flat angles C4'-P-C4' energy: -18.177 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -21.345 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: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -178.574432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.574432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.574432 (E_RNA) where: Base-Base interactions energy: -110.840 where: short stacking energy: -55.343 Base-Backbone interact. energy: -0.068 local terms energy: -67.665617 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -14.874 flat angles P-C4'-P energy: -10.670 tors. eta vs tors. theta energy: -17.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -219.510632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.510632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.510632 (E_RNA) where: Base-Base interactions energy: -145.996 where: short stacking energy: -68.295 Base-Backbone interact. energy: -0.133 local terms energy: -73.381650 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -13.364 tors. eta vs tors. theta energy: -18.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -178.904629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.904629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.904629 (E_RNA) where: Base-Base interactions energy: -109.599 where: short stacking energy: -69.340 Base-Backbone interact. energy: 1.207 local terms energy: -70.512542 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -19.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -175.045393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.045393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.045393 (E_RNA) where: Base-Base interactions energy: -105.984 where: short stacking energy: -52.622 Base-Backbone interact. energy: -0.617 local terms energy: -68.444461 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -16.440 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -13.138 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: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -158.966253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.966253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.966253 (E_RNA) where: Base-Base interactions energy: -98.195 where: short stacking energy: -54.029 Base-Backbone interact. energy: -0.315 local terms energy: -60.455878 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -10.812 flat angles P-C4'-P energy: -8.483 tors. eta vs tors. theta energy: -14.080 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: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -157.842738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.842738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.842738 (E_RNA) where: Base-Base interactions energy: -93.553 where: short stacking energy: -46.407 Base-Backbone interact. energy: -0.515 local terms energy: -63.775133 where: bonds (distance) C4'-P energy: -15.627 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -15.729 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -10.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -146.780845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.780845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.780845 (E_RNA) where: Base-Base interactions energy: -93.811 where: short stacking energy: -50.588 Base-Backbone interact. energy: -0.127 local terms energy: -52.843679 where: bonds (distance) C4'-P energy: -10.477 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -10.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -78.396343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.396343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.396343 (E_RNA) where: Base-Base interactions energy: -28.402 where: short stacking energy: -28.402 Base-Backbone interact. energy: -0.139 local terms energy: -49.854919 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -78.760006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.760006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.760006 (E_RNA) where: Base-Base interactions energy: -24.202 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.095 local terms energy: -54.463113 where: bonds (distance) C4'-P energy: -15.763 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -226.159292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.159292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.159292 (E_RNA) where: Base-Base interactions energy: -153.031 where: short stacking energy: -75.147 Base-Backbone interact. energy: -0.518 local terms energy: -72.609391 where: bonds (distance) C4'-P energy: -15.264 bonds (distance) P-C4' energy: -8.918 flat angles C4'-P-C4' energy: -16.136 flat angles P-C4'-P energy: -12.286 tors. eta vs tors. theta energy: -20.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -225.458328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.458328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.458328 (E_RNA) where: Base-Base interactions energy: -149.771 where: short stacking energy: -76.687 Base-Backbone interact. energy: -0.629 local terms energy: -75.057730 where: bonds (distance) C4'-P energy: -15.112 bonds (distance) P-C4' energy: -12.178 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -12.217 tors. eta vs tors. theta energy: -21.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -172.012371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.012371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.012371 (E_RNA) where: Base-Base interactions energy: -103.421 where: short stacking energy: -55.880 Base-Backbone interact. energy: -0.215 local terms energy: -68.375955 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -15.838 flat angles C4'-P-C4' energy: -17.175 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -12.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -172.254916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.254916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.254916 (E_RNA) where: Base-Base interactions energy: -100.573 where: short stacking energy: -60.324 Base-Backbone interact. energy: -0.118 local terms energy: -71.563996 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -15.745 flat angles P-C4'-P energy: -12.044 tors. eta vs tors. theta energy: -15.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -173.083793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.083793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.083793 (E_RNA) where: Base-Base interactions energy: -105.763 where: short stacking energy: -65.091 Base-Backbone interact. energy: -0.163 local terms energy: -67.158553 where: bonds (distance) C4'-P energy: -16.500 bonds (distance) P-C4' energy: -10.676 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -11.788 tors. eta vs tors. theta energy: -19.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -176.377307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.377307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.377307 (E_RNA) where: Base-Base interactions energy: -103.902 where: short stacking energy: -65.997 Base-Backbone interact. energy: -0.015 local terms energy: -72.460084 where: bonds (distance) C4'-P energy: -14.248 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -17.308 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -15.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -154.102591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.102591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.102591 (E_RNA) where: Base-Base interactions energy: -93.146 where: short stacking energy: -41.057 Base-Backbone interact. energy: -0.403 local terms energy: -60.554283 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -11.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -85.272550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.272550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.272550 (E_RNA) where: Base-Base interactions energy: -29.412 where: short stacking energy: -24.656 Base-Backbone interact. energy: -0.146 local terms energy: -55.715361 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -15.409 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -13.590 tors. eta vs tors. theta energy: -1.739 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: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -141.597068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.597068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.597068 (E_RNA) where: Base-Base interactions energy: -87.965 where: short stacking energy: -45.373 Base-Backbone interact. energy: -0.163 local terms energy: -53.468246 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -11.567 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: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -87.025903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.025903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.025903 (E_RNA) where: Base-Base interactions energy: -37.680 where: short stacking energy: -35.505 Base-Backbone interact. energy: -0.074 local terms energy: -49.272165 where: bonds (distance) C4'-P energy: -15.999 bonds (distance) P-C4' energy: -7.898 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -5.348 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: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -234.416033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.416033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.416033 (E_RNA) where: Base-Base interactions energy: -154.834 where: short stacking energy: -76.859 Base-Backbone interact. energy: 0.241 local terms energy: -79.823194 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -17.973 flat angles P-C4'-P energy: -12.092 tors. eta vs tors. theta energy: -20.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -223.950799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.950799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.950799 (E_RNA) where: Base-Base interactions energy: -150.223 where: short stacking energy: -66.374 Base-Backbone interact. energy: -0.521 local terms energy: -73.206661 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -18.683 flat angles P-C4'-P energy: -10.758 tors. eta vs tors. theta energy: -17.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -171.738375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.738375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.738375 (E_RNA) where: Base-Base interactions energy: -116.160 where: short stacking energy: -59.085 Base-Backbone interact. energy: -0.311 local terms energy: -55.267655 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -15.041 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -12.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -163.122806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.122806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.122806 (E_RNA) where: Base-Base interactions energy: -98.766 where: short stacking energy: -58.229 Base-Backbone interact. energy: -0.056 local terms energy: -64.301063 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -12.981 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -11.187 tors. eta vs tors. theta energy: -11.475 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: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -172.442452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.442452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.442452 (E_RNA) where: Base-Base interactions energy: -103.228 where: short stacking energy: -53.036 Base-Backbone interact. energy: -0.211 local terms energy: -69.003358 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -15.292 flat angles C4'-P-C4' energy: -16.144 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -14.794 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: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -156.747522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.747522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.747522 (E_RNA) where: Base-Base interactions energy: -92.191 where: short stacking energy: -51.255 Base-Backbone interact. energy: 0.131 local terms energy: -64.687980 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -15.994 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -10.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -154.563297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.563297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.563297 (E_RNA) where: Base-Base interactions energy: -94.244 where: short stacking energy: -47.513 Base-Backbone interact. energy: -0.144 local terms energy: -60.175591 where: bonds (distance) C4'-P energy: -16.495 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -17.427 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -83.960186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.960186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.960186 (E_RNA) where: Base-Base interactions energy: -43.783 where: short stacking energy: -19.499 Base-Backbone interact. energy: 0.308 local terms energy: -40.485726 where: bonds (distance) C4'-P energy: -3.018 bonds (distance) P-C4' energy: -16.292 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: 0.351 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: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -151.908844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.908844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.908844 (E_RNA) where: Base-Base interactions energy: -90.884 where: short stacking energy: -47.289 Base-Backbone interact. energy: -0.008 local terms energy: -61.016340 where: bonds (distance) C4'-P energy: -15.746 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -14.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -80.327341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.327341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.327341 (E_RNA) where: Base-Base interactions energy: -36.391 where: short stacking energy: -28.407 Base-Backbone interact. energy: -0.152 local terms energy: -43.784687 where: bonds (distance) C4'-P energy: -9.143 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -230.827202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.827202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.827202 (E_RNA) where: Base-Base interactions energy: -151.757 where: short stacking energy: -76.612 Base-Backbone interact. energy: -0.440 local terms energy: -78.629597 where: bonds (distance) C4'-P energy: -15.762 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -15.402 flat angles P-C4'-P energy: -12.333 tors. eta vs tors. theta energy: -21.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -210.965863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.965863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.965863 (E_RNA) where: Base-Base interactions energy: -136.915 where: short stacking energy: -52.324 Base-Backbone interact. energy: -1.029 local terms energy: -73.021432 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -15.639 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -15.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -194.270333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.270333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.270333 (E_RNA) where: Base-Base interactions energy: -120.893 where: short stacking energy: -60.763 Base-Backbone interact. energy: -0.528 local terms energy: -72.849738 where: bonds (distance) C4'-P energy: -14.496 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -12.271 tors. eta vs tors. theta energy: -15.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -176.428104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.428104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.428104 (E_RNA) where: Base-Base interactions energy: -112.698 where: short stacking energy: -56.203 Base-Backbone interact. energy: 0.261 local terms energy: -63.990325 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -11.356 tors. eta vs tors. theta energy: -13.109 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: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -159.914992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.914992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.914992 (E_RNA) where: Base-Base interactions energy: -94.950 where: short stacking energy: -55.532 Base-Backbone interact. energy: -0.341 local terms energy: -64.624384 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -16.399 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -10.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -163.934221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.934221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.934221 (E_RNA) where: Base-Base interactions energy: -95.113 where: short stacking energy: -57.099 Base-Backbone interact. energy: -0.081 local terms energy: -68.739990 where: bonds (distance) C4'-P energy: -9.659 bonds (distance) P-C4' energy: -17.495 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -12.574 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -148.351395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.351395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.351395 (E_RNA) where: Base-Base interactions energy: -82.666 where: short stacking energy: -43.470 Base-Backbone interact. energy: -0.026 local terms energy: -65.659715 where: bonds (distance) C4'-P energy: -12.534 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -13.865 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: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -141.991956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.991956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.991956 (E_RNA) where: Base-Base interactions energy: -82.822 where: short stacking energy: -46.600 Base-Backbone interact. energy: -0.024 local terms energy: -59.145900 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -95.593816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.593816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.593816 (E_RNA) where: Base-Base interactions energy: -46.979 where: short stacking energy: -25.990 Base-Backbone interact. energy: -0.128 local terms energy: -48.486153 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -83.066905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.066905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.066905 (E_RNA) where: Base-Base interactions energy: -23.682 where: short stacking energy: -22.515 Base-Backbone interact. energy: -0.424 local terms energy: -58.960851 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -16.847 flat angles C4'-P-C4' energy: -14.874 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -219.258557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.258557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.258557 (E_RNA) where: Base-Base interactions energy: -141.784 where: short stacking energy: -66.908 Base-Backbone interact. energy: 0.086 local terms energy: -77.560721 where: bonds (distance) C4'-P energy: -16.136 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -17.783 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: -19.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -225.433477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.433477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.433477 (E_RNA) where: Base-Base interactions energy: -148.179 where: short stacking energy: -69.706 Base-Backbone interact. energy: -0.390 local terms energy: -76.865284 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -16.745 flat angles C4'-P-C4' energy: -15.866 flat angles P-C4'-P energy: -11.877 tors. eta vs tors. theta energy: -18.192 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: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -166.703374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.703374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.703374 (E_RNA) where: Base-Base interactions energy: -102.410 where: short stacking energy: -55.687 Base-Backbone interact. energy: 0.632 local terms energy: -64.925478 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -17.416 flat angles P-C4'-P energy: -10.966 tors. eta vs tors. theta energy: -9.003 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -174.954235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.954235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.954235 (E_RNA) where: Base-Base interactions energy: -106.009 where: short stacking energy: -60.483 Base-Backbone interact. energy: -0.066 local terms energy: -68.878577 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -15.002 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -16.640 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: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -167.769951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.769951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.769951 (E_RNA) where: Base-Base interactions energy: -105.812 where: short stacking energy: -49.144 Base-Backbone interact. energy: -0.166 local terms energy: -61.791788 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -12.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -160.660725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.660725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.660725 (E_RNA) where: Base-Base interactions energy: -101.808 where: short stacking energy: -56.003 Base-Backbone interact. energy: -0.083 local terms energy: -58.769672 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -11.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -137.121229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.121229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.121229 (E_RNA) where: Base-Base interactions energy: -77.123 where: short stacking energy: -38.870 Base-Backbone interact. energy: -0.042 local terms energy: -59.956572 where: bonds (distance) C4'-P energy: -10.705 bonds (distance) P-C4' energy: -16.992 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -141.712518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.712518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.712518 (E_RNA) where: Base-Base interactions energy: -78.238 where: short stacking energy: -33.561 Base-Backbone interact. energy: -0.043 local terms energy: -63.431145 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -11.855 tors. eta vs tors. theta energy: -9.470 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: 326 Temperature: 1.300000 Total energy: -83.107590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.107590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.107590 (E_RNA) where: Base-Base interactions energy: -32.600 where: short stacking energy: -32.600 Base-Backbone interact. energy: 0.318 local terms energy: -50.826191 where: bonds (distance) C4'-P energy: -12.017 bonds (distance) P-C4' energy: -14.901 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -131.976978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.976978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.976978 (E_RNA) where: Base-Base interactions energy: -81.668 where: short stacking energy: -39.425 Base-Backbone interact. energy: -0.765 local terms energy: -49.544487 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -202.102236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.102236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.102236 (E_RNA) where: Base-Base interactions energy: -126.756 where: short stacking energy: -61.117 Base-Backbone interact. energy: -0.518 local terms energy: -74.829131 where: bonds (distance) C4'-P energy: -16.102 bonds (distance) P-C4' energy: -16.337 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -12.597 tors. eta vs tors. theta energy: -13.691 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: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -200.511940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.511940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.511940 (E_RNA) where: Base-Base interactions energy: -123.859 where: short stacking energy: -63.047 Base-Backbone interact. energy: -0.067 local terms energy: -76.585415 where: bonds (distance) C4'-P energy: -16.123 bonds (distance) P-C4' energy: -18.647 flat angles C4'-P-C4' energy: -16.767 flat angles P-C4'-P energy: -11.430 tors. eta vs tors. theta energy: -13.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -205.354236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.354236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.354236 (E_RNA) where: Base-Base interactions energy: -133.875 where: short stacking energy: -60.944 Base-Backbone interact. energy: -0.563 local terms energy: -70.916588 where: bonds (distance) C4'-P energy: -15.295 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -16.229 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: -16.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -172.095465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.095465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.095465 (E_RNA) where: Base-Base interactions energy: -113.025 where: short stacking energy: -51.139 Base-Backbone interact. energy: 0.617 local terms energy: -59.687263 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -9.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -167.079491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.079491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.079491 (E_RNA) where: Base-Base interactions energy: -107.084 where: short stacking energy: -49.025 Base-Backbone interact. energy: -0.683 local terms energy: -59.312319 where: bonds (distance) C4'-P energy: -8.174 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -16.433 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -10.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -150.711787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.711787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.711787 (E_RNA) where: Base-Base interactions energy: -92.225 where: short stacking energy: -48.659 Base-Backbone interact. energy: -0.630 local terms energy: -57.856643 where: bonds (distance) C4'-P energy: -9.243 bonds (distance) P-C4' energy: -16.322 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: -10.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -156.326162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.326162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.326162 (E_RNA) where: Base-Base interactions energy: -92.750 where: short stacking energy: -46.915 Base-Backbone interact. energy: -0.050 local terms energy: -63.525497 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -11.624 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -144.702413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.702413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.702413 (E_RNA) where: Base-Base interactions energy: -84.123 where: short stacking energy: -46.414 Base-Backbone interact. energy: -0.068 local terms energy: -60.511739 where: bonds (distance) C4'-P energy: -16.048 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -11.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -77.831358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.831358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.831358 (E_RNA) where: Base-Base interactions energy: -36.943 where: short stacking energy: -27.863 Base-Backbone interact. energy: -0.197 local terms energy: -40.691510 where: bonds (distance) C4'-P energy: -12.268 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -10.949 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -135.548806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.548806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.548806 (E_RNA) where: Base-Base interactions energy: -82.580 where: short stacking energy: -35.583 Base-Backbone interact. energy: -0.042 local terms energy: -52.926178 where: bonds (distance) C4'-P energy: -8.792 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -11.953 tors. eta vs tors. theta energy: -7.620 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: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -200.449506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.449506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.449506 (E_RNA) where: Base-Base interactions energy: -117.833 where: short stacking energy: -73.569 Base-Backbone interact. energy: -0.049 local terms energy: -82.567950 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -16.821 flat angles P-C4'-P energy: -13.990 tors. eta vs tors. theta energy: -18.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -195.779592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.779592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.779592 (E_RNA) where: Base-Base interactions energy: -127.384 where: short stacking energy: -57.493 Base-Backbone interact. energy: 1.501 local terms energy: -69.896682 where: bonds (distance) C4'-P energy: -16.130 bonds (distance) P-C4' energy: -14.926 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -11.683 tors. eta vs tors. theta energy: -12.646 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: 328 Temperature: 1.000000 Total energy: -212.604471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.604471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.604471 (E_RNA) where: Base-Base interactions energy: -140.342 where: short stacking energy: -64.172 Base-Backbone interact. energy: 0.059 local terms energy: -72.321242 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -18.261 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -18.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -167.803048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.803048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.803048 (E_RNA) where: Base-Base interactions energy: -97.440 where: short stacking energy: -55.748 Base-Backbone interact. energy: -0.001 local terms energy: -70.361399 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -14.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -166.256069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.256069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.256069 (E_RNA) where: Base-Base interactions energy: -110.884 where: short stacking energy: -48.513 Base-Backbone interact. energy: -0.327 local terms energy: -55.044947 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -7.821 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: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -169.604105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.604105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.604105 (E_RNA) where: Base-Base interactions energy: -100.033 where: short stacking energy: -58.273 Base-Backbone interact. energy: -0.100 local terms energy: -69.470741 where: bonds (distance) C4'-P energy: -16.811 bonds (distance) P-C4' energy: -13.069 flat angles C4'-P-C4' energy: -16.521 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -17.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -152.771167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.771167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.771167 (E_RNA) where: Base-Base interactions energy: -94.408 where: short stacking energy: -52.894 Base-Backbone interact. energy: -0.221 local terms energy: -58.142571 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -14.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -155.216435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.216435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.216435 (E_RNA) where: Base-Base interactions energy: -103.575 where: short stacking energy: -51.443 Base-Backbone interact. energy: -0.037 local terms energy: -51.603711 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -10.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -144.736730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.736730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.736730 (E_RNA) where: Base-Base interactions energy: -84.477 where: short stacking energy: -40.010 Base-Backbone interact. energy: -0.309 local terms energy: -59.950627 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -9.245 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: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -75.243493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.243493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.243493 (E_RNA) where: Base-Base interactions energy: -23.377 where: short stacking energy: -23.377 Base-Backbone interact. energy: -0.045 local terms energy: -51.821358 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -17.517 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: 0.881 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: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -197.047120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.047120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.047120 (E_RNA) where: Base-Base interactions energy: -118.305 where: short stacking energy: -66.902 Base-Backbone interact. energy: -0.001 local terms energy: -78.741124 where: bonds (distance) C4'-P energy: -15.883 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -17.970 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -17.814 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: 2, replica: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -218.679843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.679843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.679843 (E_RNA) where: Base-Base interactions energy: -146.133 where: short stacking energy: -65.795 Base-Backbone interact. energy: 1.080 local terms energy: -73.626006 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -15.866 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -189.910595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.910595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.910595 (E_RNA) where: Base-Base interactions energy: -123.888 where: short stacking energy: -54.834 Base-Backbone interact. energy: -0.078 local terms energy: -65.944022 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -11.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -161.880989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.880989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.880989 (E_RNA) where: Base-Base interactions energy: -101.985 where: short stacking energy: -54.177 Base-Backbone interact. energy: 1.900 local terms energy: -61.796637 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -12.692 tors. eta vs tors. theta energy: -13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -163.306448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.306448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.306448 (E_RNA) where: Base-Base interactions energy: -104.577 where: short stacking energy: -53.729 Base-Backbone interact. energy: -0.154 local terms energy: -58.575198 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -15.477 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -164.591745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.591745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.591745 (E_RNA) where: Base-Base interactions energy: -97.651 where: short stacking energy: -51.750 Base-Backbone interact. energy: -0.003 local terms energy: -66.937936 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -13.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -156.207848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.207848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.207848 (E_RNA) where: Base-Base interactions energy: -84.246 where: short stacking energy: -48.481 Base-Backbone interact. energy: -0.100 local terms energy: -71.862066 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -17.099 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -10.401 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -150.888448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.888448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.888448 (E_RNA) where: Base-Base interactions energy: -96.962 where: short stacking energy: -53.854 Base-Backbone interact. energy: -0.037 local terms energy: -53.889641 where: bonds (distance) C4'-P energy: -12.732 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -7.758 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: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -145.896265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.896265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.896265 (E_RNA) where: Base-Base interactions energy: -90.563 where: short stacking energy: -48.675 Base-Backbone interact. energy: -0.009 local terms energy: -55.324429 where: bonds (distance) C4'-P energy: -15.429 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -15.663 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -10.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -73.750117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.750117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.750117 (E_RNA) where: Base-Base interactions energy: -27.669 where: short stacking energy: -24.908 Base-Backbone interact. energy: -0.021 local terms energy: -46.060220 where: bonds (distance) C4'-P energy: -9.313 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: 0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -223.000604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.000604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.000604 (E_RNA) where: Base-Base interactions energy: -139.788 where: short stacking energy: -69.983 Base-Backbone interact. energy: -0.515 local terms energy: -82.697681 where: bonds (distance) C4'-P energy: -17.133 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -16.695 flat angles P-C4'-P energy: -13.369 tors. eta vs tors. theta energy: -20.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -192.165411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.165411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.165411 (E_RNA) where: Base-Base interactions energy: -116.741 where: short stacking energy: -71.488 Base-Backbone interact. energy: -0.003 local terms energy: -75.421783 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -17.013 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -20.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -207.649784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.649784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.649784 (E_RNA) where: Base-Base interactions energy: -135.667 where: short stacking energy: -59.204 Base-Backbone interact. energy: -0.230 local terms energy: -71.753517 where: bonds (distance) C4'-P energy: -15.547 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -16.264 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -14.623 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: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -160.948177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.948177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.948177 (E_RNA) where: Base-Base interactions energy: -92.995 where: short stacking energy: -49.241 Base-Backbone interact. energy: -0.071 local terms energy: -67.881857 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -17.480 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -10.513 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: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -167.055357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.055357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.055357 (E_RNA) where: Base-Base interactions energy: -98.582 where: short stacking energy: -52.017 Base-Backbone interact. energy: -0.149 local terms energy: -68.324500 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -16.995 flat angles C4'-P-C4' energy: -12.672 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -14.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -157.809383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.809383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.809383 (E_RNA) where: Base-Base interactions energy: -96.393 where: short stacking energy: -50.650 Base-Backbone interact. energy: -0.211 local terms energy: -61.204916 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -13.972 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -10.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -147.067803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.067803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.067803 (E_RNA) where: Base-Base interactions energy: -88.006 where: short stacking energy: -45.256 Base-Backbone interact. energy: -0.053 local terms energy: -59.009322 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -13.065 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -9.117 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: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -155.948818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.948818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.948818 (E_RNA) where: Base-Base interactions energy: -90.542 where: short stacking energy: -51.750 Base-Backbone interact. energy: -0.599 local terms energy: -64.807880 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -19.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -141.262549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.262549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.262549 (E_RNA) where: Base-Base interactions energy: -81.705 where: short stacking energy: -43.470 Base-Backbone interact. energy: -0.253 local terms energy: -59.304736 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -12.976 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -71.368526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.368526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.368526 (E_RNA) where: Base-Base interactions energy: -22.591 where: short stacking energy: -20.304 Base-Backbone interact. energy: -1.726 local terms energy: -47.051182 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -230.528807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.528807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.528807 (E_RNA) where: Base-Base interactions energy: -149.109 where: short stacking energy: -73.905 Base-Backbone interact. energy: -0.431 local terms energy: -80.989175 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -16.834 flat angles P-C4'-P energy: -13.163 tors. eta vs tors. theta energy: -19.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -194.583920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.583920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.583920 (E_RNA) where: Base-Base interactions energy: -124.926 where: short stacking energy: -63.681 Base-Backbone interact. energy: -0.008 local terms energy: -69.650232 where: bonds (distance) C4'-P energy: -16.136 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -15.428 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -12.357 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: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -204.149885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.149885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.149885 (E_RNA) where: Base-Base interactions energy: -133.862 where: short stacking energy: -61.111 Base-Backbone interact. energy: -0.161 local terms energy: -70.126319 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -16.360 flat angles C4'-P-C4' energy: -16.702 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -11.555 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: 5 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -174.583869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.583869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.583869 (E_RNA) where: Base-Base interactions energy: -104.917 where: short stacking energy: -63.982 Base-Backbone interact. energy: 1.880 local terms energy: -71.546905 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -18.454 flat angles C4'-P-C4' energy: -16.326 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -16.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -172.905735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.905735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.905735 (E_RNA) where: Base-Base interactions energy: -117.554 where: short stacking energy: -54.166 Base-Backbone interact. energy: -0.404 local terms energy: -54.948001 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -15.637 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -10.188 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: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -152.661359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.661359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.661359 (E_RNA) where: Base-Base interactions energy: -100.189 where: short stacking energy: -50.602 Base-Backbone interact. energy: 1.173 local terms energy: -53.645748 where: bonds (distance) C4'-P energy: -7.640 bonds (distance) P-C4' energy: -15.797 flat angles C4'-P-C4' energy: -10.480 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -152.566678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.566678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.566678 (E_RNA) where: Base-Base interactions energy: -93.797 where: short stacking energy: -41.160 Base-Backbone interact. energy: -0.140 local terms energy: -58.629883 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -8.960 tors. eta vs tors. theta energy: -9.731 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: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -152.714152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.714152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.714152 (E_RNA) where: Base-Base interactions energy: -92.080 where: short stacking energy: -51.591 Base-Backbone interact. energy: -0.029 local terms energy: -60.605312 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -17.007 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -11.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -140.953113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.953113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.953113 (E_RNA) where: Base-Base interactions energy: -82.732 where: short stacking energy: -43.401 Base-Backbone interact. energy: -0.141 local terms energy: -58.079488 where: bonds (distance) C4'-P energy: -10.613 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -11.746 tors. eta vs tors. theta energy: -7.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -83.981652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.981652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.981652 (E_RNA) where: Base-Base interactions energy: -31.527 where: short stacking energy: -24.058 Base-Backbone interact. energy: -0.490 local terms energy: -51.964447 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -8.193 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -227.798038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.798038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.798038 (E_RNA) where: Base-Base interactions energy: -150.902 where: short stacking energy: -72.670 Base-Backbone interact. energy: -0.335 local terms energy: -76.560651 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -17.154 flat angles C4'-P-C4' energy: -16.841 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -20.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -182.629731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.629731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.629731 (E_RNA) where: Base-Base interactions energy: -112.147 where: short stacking energy: -61.304 Base-Backbone interact. energy: 0.775 local terms energy: -71.257257 where: bonds (distance) C4'-P energy: -15.080 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -11.555 tors. eta vs tors. theta energy: -15.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -210.696142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.696142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.696142 (E_RNA) where: Base-Base interactions energy: -135.549 where: short stacking energy: -66.613 Base-Backbone interact. energy: -0.179 local terms energy: -74.968139 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -18.196 flat angles C4'-P-C4' energy: -16.872 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -15.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -161.019484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.019484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.019484 (E_RNA) where: Base-Base interactions energy: -99.713 where: short stacking energy: -50.569 Base-Backbone interact. energy: 1.040 local terms energy: -62.346063 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -12.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -162.339144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.339144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.339144 (E_RNA) where: Base-Base interactions energy: -101.002 where: short stacking energy: -60.652 Base-Backbone interact. energy: -0.096 local terms energy: -61.241344 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -163.949332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.949332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.949332 (E_RNA) where: Base-Base interactions energy: -115.096 where: short stacking energy: -54.044 Base-Backbone interact. energy: 1.084 local terms energy: -49.937098 where: bonds (distance) C4'-P energy: -7.243 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -10.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -150.445922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.445922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.445922 (E_RNA) where: Base-Base interactions energy: -96.255 where: short stacking energy: -48.656 Base-Backbone interact. energy: -1.790 local terms energy: -52.401685 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -7.869 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -135.447750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.447750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.447750 (E_RNA) where: Base-Base interactions energy: -77.518 where: short stacking energy: -41.637 Base-Backbone interact. energy: -0.098 local terms energy: -57.832285 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -14.021 flat angles C4'-P-C4' energy: -16.039 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -10.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -139.166860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.166860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.166860 (E_RNA) where: Base-Base interactions energy: -91.180 where: short stacking energy: -38.738 Base-Backbone interact. energy: -0.532 local terms energy: -47.454792 where: bonds (distance) C4'-P energy: -8.130 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -81.824780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.824780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.824780 (E_RNA) where: Base-Base interactions energy: -32.352 where: short stacking energy: -31.675 Base-Backbone interact. energy: -0.116 local terms energy: -49.356253 where: bonds (distance) C4'-P energy: -14.720 bonds (distance) P-C4' energy: -15.342 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: 1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -232.084684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.084684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.084684 (E_RNA) where: Base-Base interactions energy: -155.436 where: short stacking energy: -73.113 Base-Backbone interact. energy: -0.642 local terms energy: -76.006563 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -16.955 flat angles P-C4'-P energy: -12.281 tors. eta vs tors. theta energy: -19.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -205.647247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.647247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.647247 (E_RNA) where: Base-Base interactions energy: -131.492 where: short stacking energy: -58.631 Base-Backbone interact. energy: -0.276 local terms energy: -73.879589 where: bonds (distance) C4'-P energy: -15.133 bonds (distance) P-C4' energy: -16.881 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -16.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -180.503268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.503268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.503268 (E_RNA) where: Base-Base interactions energy: -108.233 where: short stacking energy: -59.288 Base-Backbone interact. energy: -0.128 local terms energy: -72.142511 where: bonds (distance) C4'-P energy: -13.991 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -15.778 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -18.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -154.885593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.885593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.885593 (E_RNA) where: Base-Base interactions energy: -93.396 where: short stacking energy: -51.685 Base-Backbone interact. energy: -0.165 local terms energy: -61.324996 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -11.882 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: 5, replica: 1 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -171.616075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.616075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.616075 (E_RNA) where: Base-Base interactions energy: -110.774 where: short stacking energy: -59.615 Base-Backbone interact. energy: -0.154 local terms energy: -60.688467 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -9.782 flat angles C4'-P-C4' energy: -16.213 flat angles P-C4'-P energy: -11.203 tors. eta vs tors. theta energy: -11.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -148.848724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.848724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.848724 (E_RNA) where: Base-Base interactions energy: -96.696 where: short stacking energy: -55.115 Base-Backbone interact. energy: -0.365 local terms energy: -51.787014 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -17.277 flat angles C4'-P-C4' energy: -9.545 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -168.738520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.738520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.738520 (E_RNA) where: Base-Base interactions energy: -106.661 where: short stacking energy: -63.309 Base-Backbone interact. energy: -0.146 local terms energy: -61.931007 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -10.618 flat angles P-C4'-P energy: -8.265 tors. eta vs tors. theta energy: -13.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -152.977597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.977597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.977597 (E_RNA) where: Base-Base interactions energy: -99.066 where: short stacking energy: -51.864 Base-Backbone interact. energy: -0.087 local terms energy: -53.824174 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -10.500 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -8.949 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -142.051961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.051961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.051961 (E_RNA) where: Base-Base interactions energy: -82.936 where: short stacking energy: -44.973 Base-Backbone interact. energy: -0.121 local terms energy: -58.995366 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -17.904 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -10.293 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: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -81.375505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.375505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.375505 (E_RNA) where: Base-Base interactions energy: -34.136 where: short stacking energy: -34.136 Base-Backbone interact. energy: -0.121 local terms energy: -47.118855 where: bonds (distance) C4'-P energy: -16.580 bonds (distance) P-C4' energy: -13.528 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -2.351 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: 1, replica: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -229.083982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.083982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.083982 (E_RNA) where: Base-Base interactions energy: -151.298 where: short stacking energy: -71.008 Base-Backbone interact. energy: -0.546 local terms energy: -77.240110 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -16.638 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -11.234 tors. eta vs tors. theta energy: -19.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -217.921067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.921067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.921067 (E_RNA) where: Base-Base interactions energy: -147.336 where: short stacking energy: -69.274 Base-Backbone interact. energy: -0.500 local terms energy: -70.085140 where: bonds (distance) C4'-P energy: -15.805 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -18.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -175.866935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.866935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.866935 (E_RNA) where: Base-Base interactions energy: -106.153 where: short stacking energy: -54.309 Base-Backbone interact. energy: -0.103 local terms energy: -69.611403 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -17.808 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -15.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -181.403151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.403151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.403151 (E_RNA) where: Base-Base interactions energy: -113.529 where: short stacking energy: -61.825 Base-Backbone interact. energy: 1.254 local terms energy: -69.127700 where: bonds (distance) C4'-P energy: -17.994 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -14.222 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: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -158.561698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.561698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.561698 (E_RNA) where: Base-Base interactions energy: -90.446 where: short stacking energy: -51.165 Base-Backbone interact. energy: -0.328 local terms energy: -67.787405 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -16.870 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -16.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -168.268657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.268657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.268657 (E_RNA) where: Base-Base interactions energy: -95.399 where: short stacking energy: -57.070 Base-Backbone interact. energy: -0.027 local terms energy: -72.841949 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -17.235 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -12.853 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -152.669815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.669815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.669815 (E_RNA) where: Base-Base interactions energy: -97.344 where: short stacking energy: -45.685 Base-Backbone interact. energy: -0.196 local terms energy: -55.129443 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -12.853 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -11.510 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: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -150.083806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.083806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.083806 (E_RNA) where: Base-Base interactions energy: -84.995 where: short stacking energy: -41.558 Base-Backbone interact. energy: -0.131 local terms energy: -64.957166 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -13.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -148.594876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.594876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.594876 (E_RNA) where: Base-Base interactions energy: -85.354 where: short stacking energy: -40.277 Base-Backbone interact. energy: -0.116 local terms energy: -63.124249 where: bonds (distance) C4'-P energy: -14.588 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -10.573 tors. eta vs tors. theta energy: -9.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -80.745372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.745372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.745372 (E_RNA) where: Base-Base interactions energy: -27.291 where: short stacking energy: -27.291 Base-Backbone interact. energy: -0.147 local terms energy: -53.307590 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -16.375 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -220.299051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.299051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.299051 (E_RNA) where: Base-Base interactions energy: -147.375 where: short stacking energy: -72.474 Base-Backbone interact. energy: -0.470 local terms energy: -72.453883 where: bonds (distance) C4'-P energy: -15.460 bonds (distance) P-C4' energy: -10.614 flat angles C4'-P-C4' energy: -17.091 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -18.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -214.736018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.736018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.736018 (E_RNA) where: Base-Base interactions energy: -140.045 where: short stacking energy: -70.012 Base-Backbone interact. energy: -0.582 local terms energy: -74.109756 where: bonds (distance) C4'-P energy: -16.259 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -17.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -168.482008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.482008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.482008 (E_RNA) where: Base-Base interactions energy: -103.636 where: short stacking energy: -61.496 Base-Backbone interact. energy: -0.122 local terms energy: -64.724285 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -11.960 tors. eta vs tors. theta energy: -15.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -175.748730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.748730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.748730 (E_RNA) where: Base-Base interactions energy: -118.681 where: short stacking energy: -63.822 Base-Backbone interact. energy: -0.773 local terms energy: -56.294976 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -16.393 flat angles C4'-P-C4' energy: -10.199 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -12.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -161.191283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.191283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.191283 (E_RNA) where: Base-Base interactions energy: -93.350 where: short stacking energy: -51.925 Base-Backbone interact. energy: -0.039 local terms energy: -67.802452 where: bonds (distance) C4'-P energy: -14.604 bonds (distance) P-C4' energy: -16.243 flat angles C4'-P-C4' energy: -16.718 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -176.931718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.931718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.931718 (E_RNA) where: Base-Base interactions energy: -104.798 where: short stacking energy: -58.546 Base-Backbone interact. energy: 0.901 local terms energy: -73.034552 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -15.933 flat angles C4'-P-C4' energy: -15.243 flat angles P-C4'-P energy: -12.671 tors. eta vs tors. theta energy: -17.730 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: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -157.327532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.327532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.327532 (E_RNA) where: Base-Base interactions energy: -94.639 where: short stacking energy: -49.408 Base-Backbone interact. energy: -0.036 local terms energy: -62.653106 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -19.352 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -11.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -151.119648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.119648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.119648 (E_RNA) where: Base-Base interactions energy: -90.195 where: short stacking energy: -49.898 Base-Backbone interact. energy: -0.204 local terms energy: -60.720503 where: bonds (distance) C4'-P energy: -16.144 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -15.381 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -12.979 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: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -159.193655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.193655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.193655 (E_RNA) where: Base-Base interactions energy: -103.989 where: short stacking energy: -47.279 Base-Backbone interact. energy: -0.415 local terms energy: -54.789760 where: bonds (distance) C4'-P energy: -9.507 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -7.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -79.720996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.720996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.720996 (E_RNA) where: Base-Base interactions energy: -28.707 where: short stacking energy: -21.858 Base-Backbone interact. energy: -0.540 local terms energy: -50.473828 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -11.170 flat angles P-C4'-P energy: -10.075 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -207.876947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.876947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.876947 (E_RNA) where: Base-Base interactions energy: -143.939 where: short stacking energy: -63.710 Base-Backbone interact. energy: -0.336 local terms energy: -63.601351 where: bonds (distance) C4'-P energy: -12.497 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -16.360 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: 2, replica: 4 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -213.181787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.181787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.181787 (E_RNA) where: Base-Base interactions energy: -146.433 where: short stacking energy: -70.542 Base-Backbone interact. energy: -0.487 local terms energy: -66.262032 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -15.778 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -17.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -174.905756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.905756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.905756 (E_RNA) where: Base-Base interactions energy: -105.071 where: short stacking energy: -59.488 Base-Backbone interact. energy: -0.021 local terms energy: -69.813374 where: bonds (distance) C4'-P energy: -16.246 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -13.990 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -167.486858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.486858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.486858 (E_RNA) where: Base-Base interactions energy: -100.118 where: short stacking energy: -57.591 Base-Backbone interact. energy: -0.834 local terms energy: -66.535364 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -8.544 tors. eta vs tors. theta energy: -14.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -165.995133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.995133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.995133 (E_RNA) where: Base-Base interactions energy: -104.643 where: short stacking energy: -44.846 Base-Backbone interact. energy: -0.558 local terms energy: -60.793811 where: bonds (distance) C4'-P energy: -15.263 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -12.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -153.726118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.726118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.726118 (E_RNA) where: Base-Base interactions energy: -94.324 where: short stacking energy: -42.931 Base-Backbone interact. energy: -0.152 local terms energy: -59.250400 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -14.840 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -9.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -150.983256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.983256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.983256 (E_RNA) where: Base-Base interactions energy: -102.577 where: short stacking energy: -47.660 Base-Backbone interact. energy: -1.036 local terms energy: -47.369444 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -9.079 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -10.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -148.461801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.461801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.461801 (E_RNA) where: Base-Base interactions energy: -85.995 where: short stacking energy: -42.183 Base-Backbone interact. energy: -0.105 local terms energy: -62.361836 where: bonds (distance) C4'-P energy: -17.585 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: -11.598 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: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -136.423606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.423606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.423606 (E_RNA) where: Base-Base interactions energy: -90.712 where: short stacking energy: -42.496 Base-Backbone interact. energy: 1.063 local terms energy: -46.774280 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -10.960 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -81.348935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.348935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.348935 (E_RNA) where: Base-Base interactions energy: -38.451 where: short stacking energy: -27.842 Base-Backbone interact. energy: -0.101 local terms energy: -42.796675 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -1.993 tors. eta vs tors. theta energy: -0.146 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: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -224.963625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.963625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.963625 (E_RNA) where: Base-Base interactions energy: -151.268 where: short stacking energy: -74.755 Base-Backbone interact. energy: -0.442 local terms energy: -73.253850 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -20.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -208.773377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.773377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.773377 (E_RNA) where: Base-Base interactions energy: -140.220 where: short stacking energy: -63.883 Base-Backbone interact. energy: -1.312 local terms energy: -67.241305 where: bonds (distance) C4'-P energy: -15.949 bonds (distance) P-C4' energy: -11.055 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -11.625 tors. eta vs tors. theta energy: -14.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -173.191577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.191577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.191577 (E_RNA) where: Base-Base interactions energy: -105.983 where: short stacking energy: -53.268 Base-Backbone interact. energy: -0.093 local terms energy: -67.115481 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -15.827 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -16.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -179.343841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.343841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.343841 (E_RNA) where: Base-Base interactions energy: -106.823 where: short stacking energy: -57.972 Base-Backbone interact. energy: -0.190 local terms energy: -72.330482 where: bonds (distance) C4'-P energy: -16.318 bonds (distance) P-C4' energy: -15.865 flat angles C4'-P-C4' energy: -14.483 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -15.224 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: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -157.774523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.774523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.774523 (E_RNA) where: Base-Base interactions energy: -92.562 where: short stacking energy: -50.028 Base-Backbone interact. energy: -0.633 local terms energy: -64.578888 where: bonds (distance) C4'-P energy: -15.022 bonds (distance) P-C4' energy: -13.440 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -11.185 tors. eta vs tors. theta energy: -10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -158.619448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.619448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.619448 (E_RNA) where: Base-Base interactions energy: -96.393 where: short stacking energy: -50.532 Base-Backbone interact. energy: -0.066 local terms energy: -62.160089 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -8.101 tors. eta vs tors. theta energy: -12.098 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: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -158.249142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.249142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.249142 (E_RNA) where: Base-Base interactions energy: -103.992 where: short stacking energy: -37.226 Base-Backbone interact. energy: 1.081 local terms energy: -55.338530 where: bonds (distance) C4'-P energy: -15.150 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -7.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -145.338586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.338586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.338586 (E_RNA) where: Base-Base interactions energy: -94.944 where: short stacking energy: -53.288 Base-Backbone interact. energy: -0.111 local terms energy: -50.283796 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -9.616 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -142.822151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.822151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.822151 (E_RNA) where: Base-Base interactions energy: -81.491 where: short stacking energy: -42.964 Base-Backbone interact. energy: -0.054 local terms energy: -61.277666 where: bonds (distance) C4'-P energy: -14.206 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -6.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -75.745694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.745694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.745694 (E_RNA) where: Base-Base interactions energy: -22.253 where: short stacking energy: -22.253 Base-Backbone interact. energy: -0.052 local terms energy: -53.440116 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -15.564 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -221.774515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.774515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.774515 (E_RNA) where: Base-Base interactions energy: -141.359 where: short stacking energy: -63.906 Base-Backbone interact. energy: -0.301 local terms energy: -80.114069 where: bonds (distance) C4'-P energy: -14.048 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -17.675 flat angles P-C4'-P energy: -13.056 tors. eta vs tors. theta energy: -17.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -227.424386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.424386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.424386 (E_RNA) where: Base-Base interactions energy: -149.508 where: short stacking energy: -74.575 Base-Backbone interact. energy: -0.095 local terms energy: -77.821505 where: bonds (distance) C4'-P energy: -15.080 bonds (distance) P-C4' energy: -14.495 flat angles C4'-P-C4' energy: -16.216 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -20.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -172.044760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.044760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.044760 (E_RNA) where: Base-Base interactions energy: -106.000 where: short stacking energy: -56.881 Base-Backbone interact. energy: -0.153 local terms energy: -65.891483 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -17.503 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -14.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -177.461982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.461982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.461982 (E_RNA) where: Base-Base interactions energy: -108.712 where: short stacking energy: -55.828 Base-Backbone interact. energy: 0.813 local terms energy: -69.563379 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -13.664 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -12.180 tors. eta vs tors. theta energy: -15.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -154.504969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.504969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.504969 (E_RNA) where: Base-Base interactions energy: -92.664 where: short stacking energy: -53.020 Base-Backbone interact. energy: -0.279 local terms energy: -61.561986 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -14.767 flat angles C4'-P-C4' energy: -11.790 flat angles P-C4'-P energy: -7.741 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -164.221955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.221955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.221955 (E_RNA) where: Base-Base interactions energy: -99.215 where: short stacking energy: -54.454 Base-Backbone interact. energy: -0.026 local terms energy: -64.981152 where: bonds (distance) C4'-P energy: -15.398 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -16.054 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -12.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -145.510848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.510848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.510848 (E_RNA) where: Base-Base interactions energy: -83.389 where: short stacking energy: -42.794 Base-Backbone interact. energy: -0.252 local terms energy: -61.869740 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -13.087 flat angles P-C4'-P energy: -11.383 tors. eta vs tors. theta energy: -7.732 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: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -149.261663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.261663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.261663 (E_RNA) where: Base-Base interactions energy: -86.937 where: short stacking energy: -38.311 Base-Backbone interact. energy: 0.521 local terms energy: -62.845080 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -17.514 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -6.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -145.229837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.229837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.229837 (E_RNA) where: Base-Base interactions energy: -89.942 where: short stacking energy: -45.614 Base-Backbone interact. energy: -0.032 local terms energy: -55.255465 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -79.131859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.131859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.131859 (E_RNA) where: Base-Base interactions energy: -28.575 where: short stacking energy: -28.575 Base-Backbone interact. energy: 0.232 local terms energy: -50.789297 where: bonds (distance) C4'-P energy: -16.611 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -9.028 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -225.685328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.685328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.685328 (E_RNA) where: Base-Base interactions energy: -150.487 where: short stacking energy: -71.602 Base-Backbone interact. energy: -0.358 local terms energy: -74.840418 where: bonds (distance) C4'-P energy: -14.325 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -18.548 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -19.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -191.038462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.038462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.038462 (E_RNA) where: Base-Base interactions energy: -117.024 where: short stacking energy: -68.959 Base-Backbone interact. energy: -0.038 local terms energy: -73.976265 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -17.746 flat angles C4'-P-C4' energy: -15.974 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -18.038 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: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -219.175779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.175779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.175779 (E_RNA) where: Base-Base interactions energy: -143.740 where: short stacking energy: -74.763 Base-Backbone interact. energy: -0.602 local terms energy: -74.833048 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -18.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -175.205532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.205532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.205532 (E_RNA) where: Base-Base interactions energy: -115.639 where: short stacking energy: -53.280 Base-Backbone interact. energy: 1.243 local terms energy: -60.810210 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -6.048 tors. eta vs tors. theta energy: -13.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -174.255526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.255526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.255526 (E_RNA) where: Base-Base interactions energy: -111.478 where: short stacking energy: -58.972 Base-Backbone interact. energy: 0.939 local terms energy: -63.716355 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -16.645 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: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -164.695972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.695972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.695972 (E_RNA) where: Base-Base interactions energy: -97.815 where: short stacking energy: -59.813 Base-Backbone interact. energy: 0.464 local terms energy: -67.345375 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -16.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -149.022412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.022412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.022412 (E_RNA) where: Base-Base interactions energy: -99.478 where: short stacking energy: -52.576 Base-Backbone interact. energy: -0.012 local terms energy: -49.532426 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -8.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -147.159117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.159117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.159117 (E_RNA) where: Base-Base interactions energy: -87.749 where: short stacking energy: -46.200 Base-Backbone interact. energy: -0.183 local terms energy: -59.227104 where: bonds (distance) C4'-P energy: -13.664 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -10.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -146.117601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.117601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.117601 (E_RNA) where: Base-Base interactions energy: -88.018 where: short stacking energy: -41.992 Base-Backbone interact. energy: -0.475 local terms energy: -57.624730 where: bonds (distance) C4'-P energy: -9.798 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -10.900 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: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -80.450176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.450176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.450176 (E_RNA) where: Base-Base interactions energy: -30.589 where: short stacking energy: -29.515 Base-Backbone interact. energy: -0.349 local terms energy: -49.511369 where: bonds (distance) C4'-P energy: -15.283 bonds (distance) P-C4' energy: -9.165 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -8.393 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -227.996895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.996895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.996895 (E_RNA) where: Base-Base interactions energy: -146.657 where: short stacking energy: -70.581 Base-Backbone interact. energy: -0.487 local terms energy: -80.852717 where: bonds (distance) C4'-P energy: -15.808 bonds (distance) P-C4' energy: -16.269 flat angles C4'-P-C4' energy: -15.390 flat angles P-C4'-P energy: -13.498 tors. eta vs tors. theta energy: -19.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -192.015040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.015040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.015040 (E_RNA) where: Base-Base interactions energy: -114.734 where: short stacking energy: -67.893 Base-Backbone interact. energy: -0.037 local terms energy: -77.243877 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -15.789 flat angles C4'-P-C4' energy: -16.838 flat angles P-C4'-P energy: -9.283 tors. eta vs tors. theta energy: -20.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -215.471856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.471856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.471856 (E_RNA) where: Base-Base interactions energy: -144.500 where: short stacking energy: -71.463 Base-Backbone interact. energy: -1.172 local terms energy: -69.799361 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -11.547 tors. eta vs tors. theta energy: -17.676 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: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -157.915151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.915151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.915151 (E_RNA) where: Base-Base interactions energy: -95.960 where: short stacking energy: -48.215 Base-Backbone interact. energy: -0.740 local terms energy: -61.214762 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -10.460 tors. eta vs tors. theta energy: -7.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -168.762690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.762690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.762690 (E_RNA) where: Base-Base interactions energy: -101.151 where: short stacking energy: -57.881 Base-Backbone interact. energy: -0.142 local terms energy: -67.469596 where: bonds (distance) C4'-P energy: -14.613 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -15.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -171.018311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.018311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.018311 (E_RNA) where: Base-Base interactions energy: -107.152 where: short stacking energy: -52.655 Base-Backbone interact. energy: -0.065 local terms energy: -63.801379 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -13.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -155.422358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.422358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.422358 (E_RNA) where: Base-Base interactions energy: -88.042 where: short stacking energy: -45.748 Base-Backbone interact. energy: 0.127 local terms energy: -67.507454 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -17.442 flat angles C4'-P-C4' energy: -16.263 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -14.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -154.424581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.424581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.424581 (E_RNA) where: Base-Base interactions energy: -93.124 where: short stacking energy: -44.760 Base-Backbone interact. energy: -0.222 local terms energy: -61.078785 where: bonds (distance) C4'-P energy: -8.845 bonds (distance) P-C4' energy: -17.696 flat angles C4'-P-C4' energy: -14.587 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -8.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -143.662742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.662742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.662742 (E_RNA) where: Base-Base interactions energy: -91.815 where: short stacking energy: -41.421 Base-Backbone interact. energy: -0.142 local terms energy: -51.705878 where: bonds (distance) C4'-P energy: -11.610 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -8.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -93.046481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.046481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.046481 (E_RNA) where: Base-Base interactions energy: -40.210 where: short stacking energy: -39.648 Base-Backbone interact. energy: -0.048 local terms energy: -52.788958 where: bonds (distance) C4'-P energy: -7.532 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -10.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -225.829195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.829195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.829195 (E_RNA) where: Base-Base interactions energy: -148.610 where: short stacking energy: -73.894 Base-Backbone interact. energy: -0.391 local terms energy: -76.827714 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -12.659 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -206.031403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.031403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.031403 (E_RNA) where: Base-Base interactions energy: -131.093 where: short stacking energy: -56.845 Base-Backbone interact. energy: -0.075 local terms energy: -74.862984 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -17.034 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -187.993916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.993916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.993916 (E_RNA) where: Base-Base interactions energy: -109.115 where: short stacking energy: -60.463 Base-Backbone interact. energy: -0.982 local terms energy: -77.897221 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -18.255 flat angles P-C4'-P energy: -14.033 tors. eta vs tors. theta energy: -16.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -174.077537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.077537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.077537 (E_RNA) where: Base-Base interactions energy: -103.192 where: short stacking energy: -51.736 Base-Backbone interact. energy: -0.413 local terms energy: -70.472821 where: bonds (distance) C4'-P energy: -16.889 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -12.009 tors. eta vs tors. theta energy: -12.268 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: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -164.998744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.998744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.998744 (E_RNA) where: Base-Base interactions energy: -105.277 where: short stacking energy: -59.371 Base-Backbone interact. energy: -0.569 local terms energy: -59.152191 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -13.263 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -14.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -158.860678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.860678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.860678 (E_RNA) where: Base-Base interactions energy: -92.991 where: short stacking energy: -48.795 Base-Backbone interact. energy: 0.325 local terms energy: -66.194770 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -12.111 tors. eta vs tors. theta energy: -11.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -141.774339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.774339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.774339 (E_RNA) where: Base-Base interactions energy: -84.453 where: short stacking energy: -39.960 Base-Backbone interact. energy: 0.354 local terms energy: -57.675188 where: bonds (distance) C4'-P energy: -16.706 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -10.865 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -140.324596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.324596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.324596 (E_RNA) where: Base-Base interactions energy: -84.622 where: short stacking energy: -42.675 Base-Backbone interact. energy: -0.212 local terms energy: -55.490410 where: bonds (distance) C4'-P energy: -12.766 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -15.820 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -140.005056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.005056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.005056 (E_RNA) where: Base-Base interactions energy: -83.687 where: short stacking energy: -39.848 Base-Backbone interact. energy: -0.154 local terms energy: -56.163988 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -8.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -78.307124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.307124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.307124 (E_RNA) where: Base-Base interactions energy: -29.554 where: short stacking energy: -15.419 Base-Backbone interact. energy: -0.103 local terms energy: -48.650256 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: 1.299 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: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -229.901713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.901713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.901713 (E_RNA) where: Base-Base interactions energy: -149.173 where: short stacking energy: -80.430 Base-Backbone interact. energy: -0.405 local terms energy: -80.323865 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -15.225 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -13.278 tors. eta vs tors. theta energy: -20.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -215.636887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.636887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.636887 (E_RNA) where: Base-Base interactions energy: -144.106 where: short stacking energy: -67.381 Base-Backbone interact. energy: 1.692 local terms energy: -73.222385 where: bonds (distance) C4'-P energy: -15.490 bonds (distance) P-C4' energy: -14.038 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -17.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -183.029746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.029746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.029746 (E_RNA) where: Base-Base interactions energy: -114.203 where: short stacking energy: -65.257 Base-Backbone interact. energy: -0.850 local terms energy: -67.975985 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -14.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -188.287096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.287096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.287096 (E_RNA) where: Base-Base interactions energy: -117.795 where: short stacking energy: -72.410 Base-Backbone interact. energy: -0.494 local terms energy: -69.998376 where: bonds (distance) C4'-P energy: -14.110 bonds (distance) P-C4' energy: -16.979 flat angles C4'-P-C4' energy: -15.180 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -19.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -163.073473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.073473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.073473 (E_RNA) where: Base-Base interactions energy: -104.021 where: short stacking energy: -49.216 Base-Backbone interact. energy: -0.355 local terms energy: -58.696553 where: bonds (distance) C4'-P energy: -16.226 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -7.035 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: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -153.284417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.284417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.284417 (E_RNA) where: Base-Base interactions energy: -96.349 where: short stacking energy: -57.779 Base-Backbone interact. energy: -0.124 local terms energy: -56.811483 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -16.973 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -10.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -148.402810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.402810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.402810 (E_RNA) where: Base-Base interactions energy: -96.875 where: short stacking energy: -45.281 Base-Backbone interact. energy: -0.068 local terms energy: -51.459711 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -146.978243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.978243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.978243 (E_RNA) where: Base-Base interactions energy: -95.112 where: short stacking energy: -40.854 Base-Backbone interact. energy: -0.493 local terms energy: -51.373919 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -13.460 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -138.042824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.042824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.042824 (E_RNA) where: Base-Base interactions energy: -89.044 where: short stacking energy: -43.908 Base-Backbone interact. energy: -0.081 local terms energy: -48.918044 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -10.705 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -6.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -91.330563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.330563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.330563 (E_RNA) where: Base-Base interactions energy: -41.470 where: short stacking energy: -36.912 Base-Backbone interact. energy: -0.861 local terms energy: -49.000018 where: bonds (distance) C4'-P energy: -15.569 bonds (distance) P-C4' energy: -8.360 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -9.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -226.196307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.196307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.196307 (E_RNA) where: Base-Base interactions energy: -145.878 where: short stacking energy: -73.901 Base-Backbone interact. energy: -0.842 local terms energy: -79.476600 where: bonds (distance) C4'-P energy: -14.866 bonds (distance) P-C4' energy: -13.584 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -13.378 tors. eta vs tors. theta energy: -21.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -229.657687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.657687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.657687 (E_RNA) where: Base-Base interactions energy: -153.574 where: short stacking energy: -77.231 Base-Backbone interact. energy: -0.327 local terms energy: -75.756230 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -17.806 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -12.298 tors. eta vs tors. theta energy: -19.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -182.133245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.133245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.133245 (E_RNA) where: Base-Base interactions energy: -109.773 where: short stacking energy: -59.018 Base-Backbone interact. energy: 3.794 local terms energy: -76.154171 where: bonds (distance) C4'-P energy: -15.738 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -12.066 tors. eta vs tors. theta energy: -18.362 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: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -179.537371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.537371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.537371 (E_RNA) where: Base-Base interactions energy: -102.814 where: short stacking energy: -54.986 Base-Backbone interact. energy: -0.563 local terms energy: -76.161082 where: bonds (distance) C4'-P energy: -17.274 bonds (distance) P-C4' energy: -16.951 flat angles C4'-P-C4' energy: -17.730 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -16.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -156.114155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.114155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.114155 (E_RNA) where: Base-Base interactions energy: -94.533 where: short stacking energy: -52.198 Base-Backbone interact. energy: -0.053 local terms energy: -61.528586 where: bonds (distance) C4'-P energy: -15.316 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -11.837 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: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -155.716594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.716594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.716594 (E_RNA) where: Base-Base interactions energy: -92.970 where: short stacking energy: -45.855 Base-Backbone interact. energy: -0.163 local terms energy: -62.583816 where: bonds (distance) C4'-P energy: -14.706 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -16.663 flat angles P-C4'-P energy: -8.052 tors. eta vs tors. theta energy: -8.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -155.684828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.684828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.684828 (E_RNA) where: Base-Base interactions energy: -87.120 where: short stacking energy: -45.864 Base-Backbone interact. energy: -0.049 local terms energy: -68.515891 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -14.566 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: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -147.198908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.198908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.198908 (E_RNA) where: Base-Base interactions energy: -95.950 where: short stacking energy: -47.133 Base-Backbone interact. energy: -0.103 local terms energy: -51.146204 where: bonds (distance) C4'-P energy: -13.001 bonds (distance) P-C4' energy: -15.073 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -7.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -133.466019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.466019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.466019 (E_RNA) where: Base-Base interactions energy: -87.217 where: short stacking energy: -36.215 Base-Backbone interact. energy: 1.158 local terms energy: -47.406455 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -15.148 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -84.244080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.244080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.244080 (E_RNA) where: Base-Base interactions energy: -37.244 where: short stacking energy: -35.486 Base-Backbone interact. energy: -0.099 local terms energy: -46.900915 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -224.932229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.932229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.932229 (E_RNA) where: Base-Base interactions energy: -146.485 where: short stacking energy: -65.914 Base-Backbone interact. energy: 0.472 local terms energy: -78.918545 where: bonds (distance) C4'-P energy: -15.380 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -12.849 tors. eta vs tors. theta energy: -18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -227.170726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.170726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.170726 (E_RNA) where: Base-Base interactions energy: -145.623 where: short stacking energy: -73.488 Base-Backbone interact. energy: -0.494 local terms energy: -81.054022 where: bonds (distance) C4'-P energy: -15.613 bonds (distance) P-C4' energy: -17.608 flat angles C4'-P-C4' energy: -16.958 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -20.913 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: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -171.281372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.281372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.281372 (E_RNA) where: Base-Base interactions energy: -104.053 where: short stacking energy: -60.892 Base-Backbone interact. energy: -0.290 local terms energy: -66.939063 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -15.798 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -15.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -180.259290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.259290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.259290 (E_RNA) where: Base-Base interactions energy: -112.795 where: short stacking energy: -65.621 Base-Backbone interact. energy: -0.074 local terms energy: -67.390568 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -16.046 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -16.601 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: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -166.519332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.519332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.519332 (E_RNA) where: Base-Base interactions energy: -100.623 where: short stacking energy: -54.039 Base-Backbone interact. energy: -0.009 local terms energy: -65.887842 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -13.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -166.008016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.008016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.008016 (E_RNA) where: Base-Base interactions energy: -97.476 where: short stacking energy: -55.994 Base-Backbone interact. energy: -0.001 local terms energy: -68.531127 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -18.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -146.602596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.602596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.602596 (E_RNA) where: Base-Base interactions energy: -87.309 where: short stacking energy: -38.338 Base-Backbone interact. energy: -0.096 local terms energy: -59.197709 where: bonds (distance) C4'-P energy: -10.262 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -7.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -149.124558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.124558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.124558 (E_RNA) where: Base-Base interactions energy: -95.569 where: short stacking energy: -45.530 Base-Backbone interact. energy: 0.749 local terms energy: -54.304418 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -142.035633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.035633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.035633 (E_RNA) where: Base-Base interactions energy: -85.722 where: short stacking energy: -42.879 Base-Backbone interact. energy: 2.098 local terms energy: -58.412356 where: bonds (distance) C4'-P energy: -17.051 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -8.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -74.321430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.321430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.321430 (E_RNA) where: Base-Base interactions energy: -21.620 where: short stacking energy: -14.966 Base-Backbone interact. energy: -0.052 local terms energy: -52.649573 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -10.728 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -227.721779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.721779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.721779 (E_RNA) where: Base-Base interactions energy: -146.451 where: short stacking energy: -72.939 Base-Backbone interact. energy: -0.322 local terms energy: -80.948981 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -17.099 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -20.998 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: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -221.547524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.547524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.547524 (E_RNA) where: Base-Base interactions energy: -147.683 where: short stacking energy: -73.659 Base-Backbone interact. energy: -0.531 local terms energy: -73.333655 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -18.183 flat angles C4'-P-C4' energy: -16.337 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -18.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -171.659482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.659482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.659482 (E_RNA) where: Base-Base interactions energy: -106.855 where: short stacking energy: -62.080 Base-Backbone interact. energy: -0.037 local terms energy: -64.767404 where: bonds (distance) C4'-P energy: -11.011 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -10.627 tors. eta vs tors. theta energy: -14.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -158.411211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.411211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.411211 (E_RNA) where: Base-Base interactions energy: -86.496 where: short stacking energy: -50.244 Base-Backbone interact. energy: -0.142 local terms energy: -71.773288 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -16.104 flat angles P-C4'-P energy: -13.765 tors. eta vs tors. theta energy: -8.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -179.950109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.950109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.950109 (E_RNA) where: Base-Base interactions energy: -107.228 where: short stacking energy: -68.094 Base-Backbone interact. energy: -0.119 local terms energy: -72.603309 where: bonds (distance) C4'-P energy: -14.065 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -21.792 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: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -156.573443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.573443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.573443 (E_RNA) where: Base-Base interactions energy: -94.196 where: short stacking energy: -41.852 Base-Backbone interact. energy: 0.609 local terms energy: -62.986512 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -11.352 tors. eta vs tors. theta energy: -10.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -151.934986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.934986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.934986 (E_RNA) where: Base-Base interactions energy: -90.975 where: short stacking energy: -47.887 Base-Backbone interact. energy: 0.674 local terms energy: -61.633927 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -13.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -154.291432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.291432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.291432 (E_RNA) where: Base-Base interactions energy: -99.493 where: short stacking energy: -51.243 Base-Backbone interact. energy: -0.396 local terms energy: -54.402247 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -10.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -131.527821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.527821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.527821 (E_RNA) where: Base-Base interactions energy: -82.229 where: short stacking energy: -41.110 Base-Backbone interact. energy: -0.272 local terms energy: -49.027398 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -10.104 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -81.394836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.394836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.394836 (E_RNA) where: Base-Base interactions energy: -22.407 where: short stacking energy: -22.249 Base-Backbone interact. energy: 1.470 local terms energy: -60.457669 where: bonds (distance) C4'-P energy: -17.203 bonds (distance) P-C4' energy: -16.626 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -226.771328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.771328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.771328 (E_RNA) where: Base-Base interactions energy: -152.864 where: short stacking energy: -74.431 Base-Backbone interact. energy: -0.420 local terms energy: -73.486924 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -18.989 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: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -219.697655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.697655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.697655 (E_RNA) where: Base-Base interactions energy: -143.617 where: short stacking energy: -63.559 Base-Backbone interact. energy: 0.848 local terms energy: -76.928682 where: bonds (distance) C4'-P energy: -17.100 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -14.703 flat angles P-C4'-P energy: -13.353 tors. eta vs tors. theta energy: -18.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -176.180464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.180464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.180464 (E_RNA) where: Base-Base interactions energy: -108.076 where: short stacking energy: -63.814 Base-Backbone interact. energy: -0.085 local terms energy: -68.019844 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -11.025 tors. eta vs tors. theta energy: -16.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -169.833837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.833837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.833837 (E_RNA) where: Base-Base interactions energy: -104.017 where: short stacking energy: -57.714 Base-Backbone interact. energy: -0.023 local terms energy: -65.794369 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -13.033 tors. eta vs tors. theta energy: -13.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -177.299017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.299017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.299017 (E_RNA) where: Base-Base interactions energy: -115.956 where: short stacking energy: -63.354 Base-Backbone interact. energy: -0.094 local terms energy: -61.249409 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -148.880564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.880564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.880564 (E_RNA) where: Base-Base interactions energy: -95.821 where: short stacking energy: -39.628 Base-Backbone interact. energy: -0.035 local terms energy: -53.023915 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -148.581507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.581507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.581507 (E_RNA) where: Base-Base interactions energy: -89.592 where: short stacking energy: -43.997 Base-Backbone interact. energy: -1.203 local terms energy: -57.786211 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -12.614 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -12.053 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -144.129716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.129716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.129716 (E_RNA) where: Base-Base interactions energy: -87.390 where: short stacking energy: -44.549 Base-Backbone interact. energy: 0.374 local terms energy: -57.112930 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -9.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -129.370958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.370958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.370958 (E_RNA) where: Base-Base interactions energy: -77.622 where: short stacking energy: -25.760 Base-Backbone interact. energy: -0.223 local terms energy: -51.526002 where: bonds (distance) C4'-P energy: -16.731 bonds (distance) P-C4' energy: -16.734 flat angles C4'-P-C4' energy: -9.712 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -0.853 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: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -84.351613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.351613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.351613 (E_RNA) where: Base-Base interactions energy: -37.582 where: short stacking energy: -35.940 Base-Backbone interact. energy: -0.078 local terms energy: -46.691754 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -15.699 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -227.360177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.360177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.360177 (E_RNA) where: Base-Base interactions energy: -150.016 where: short stacking energy: -72.266 Base-Backbone interact. energy: -0.334 local terms energy: -77.009982 where: bonds (distance) C4'-P energy: -16.318 bonds (distance) P-C4' energy: -18.013 flat angles C4'-P-C4' energy: -16.662 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -16.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -217.595932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.595932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.595932 (E_RNA) where: Base-Base interactions energy: -148.169 where: short stacking energy: -69.387 Base-Backbone interact. energy: -0.471 local terms energy: -68.955131 where: bonds (distance) C4'-P energy: -9.197 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -16.724 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -18.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -179.436511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.436511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.436511 (E_RNA) where: Base-Base interactions energy: -105.038 where: short stacking energy: -65.527 Base-Backbone interact. energy: -0.083 local terms energy: -74.314752 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -14.941 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -19.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -179.055339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.055339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.055339 (E_RNA) where: Base-Base interactions energy: -112.763 where: short stacking energy: -57.600 Base-Backbone interact. energy: -0.194 local terms energy: -66.098076 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -179.801989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.801989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.801989 (E_RNA) where: Base-Base interactions energy: -108.883 where: short stacking energy: -71.044 Base-Backbone interact. energy: -0.029 local terms energy: -70.890068 where: bonds (distance) C4'-P energy: -16.333 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -18.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -164.390407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.390407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.390407 (E_RNA) where: Base-Base interactions energy: -104.034 where: short stacking energy: -59.658 Base-Backbone interact. energy: -0.081 local terms energy: -60.275759 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -15.180 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -13.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -153.289324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.289324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.289324 (E_RNA) where: Base-Base interactions energy: -94.434 where: short stacking energy: -50.709 Base-Backbone interact. energy: -0.022 local terms energy: -58.833698 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -143.418850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.418850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.418850 (E_RNA) where: Base-Base interactions energy: -92.646 where: short stacking energy: -52.340 Base-Backbone interact. energy: -0.139 local terms energy: -50.634680 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -7.704 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: 347 Temperature: 1.300000 Total energy: -130.988802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.988802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.988802 (E_RNA) where: Base-Base interactions energy: -86.804 where: short stacking energy: -28.534 Base-Backbone interact. energy: 4.485 local terms energy: -48.669628 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -13.155 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -79.748036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.748036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.748036 (E_RNA) where: Base-Base interactions energy: -32.087 where: short stacking energy: -32.087 Base-Backbone interact. energy: -0.246 local terms energy: -47.415134 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -221.942390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.942390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.942390 (E_RNA) where: Base-Base interactions energy: -150.140 where: short stacking energy: -71.505 Base-Backbone interact. energy: -0.491 local terms energy: -71.311399 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -15.843 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -13.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -217.538025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.538025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.538025 (E_RNA) where: Base-Base interactions energy: -146.399 where: short stacking energy: -70.572 Base-Backbone interact. energy: -0.197 local terms energy: -70.941569 where: bonds (distance) C4'-P energy: -9.383 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -16.754 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -17.351 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: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -182.058800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.058800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.058800 (E_RNA) where: Base-Base interactions energy: -115.171 where: short stacking energy: -57.959 Base-Backbone interact. energy: -0.047 local terms energy: -66.841408 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -18.352 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -14.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -170.227539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.227539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.227539 (E_RNA) where: Base-Base interactions energy: -103.915 where: short stacking energy: -51.278 Base-Backbone interact. energy: -0.119 local terms energy: -66.194107 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: -9.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -168.264656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.264656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.264656 (E_RNA) where: Base-Base interactions energy: -115.617 where: short stacking energy: -55.075 Base-Backbone interact. energy: 0.674 local terms energy: -53.321678 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -14.383 flat angles C4'-P-C4' energy: -11.297 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -12.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -163.223268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.223268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.223268 (E_RNA) where: Base-Base interactions energy: -100.752 where: short stacking energy: -45.756 Base-Backbone interact. energy: 0.113 local terms energy: -62.584099 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -10.506 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -159.871099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.871099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.871099 (E_RNA) where: Base-Base interactions energy: -99.465 where: short stacking energy: -55.838 Base-Backbone interact. energy: -0.181 local terms energy: -60.224703 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -14.837 flat angles C4'-P-C4' energy: -12.307 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -10.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -139.642112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.642112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.642112 (E_RNA) where: Base-Base interactions energy: -90.804 where: short stacking energy: -45.319 Base-Backbone interact. energy: -0.022 local terms energy: -48.816670 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -5.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -85.035535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.035535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.035535 (E_RNA) where: Base-Base interactions energy: -28.563 where: short stacking energy: -26.456 Base-Backbone interact. energy: -0.055 local terms energy: -56.417303 where: bonds (distance) C4'-P energy: -9.788 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -12.325 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -138.829411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.829411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.829411 (E_RNA) where: Base-Base interactions energy: -86.690 where: short stacking energy: -40.539 Base-Backbone interact. energy: 0.643 local terms energy: -52.782527 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -7.063 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: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -221.578673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.578673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.578673 (E_RNA) where: Base-Base interactions energy: -146.810 where: short stacking energy: -67.778 Base-Backbone interact. energy: 0.754 local terms energy: -75.523087 where: bonds (distance) C4'-P energy: -16.602 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -16.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -216.315567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.315567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.315567 (E_RNA) where: Base-Base interactions energy: -138.796 where: short stacking energy: -67.439 Base-Backbone interact. energy: 0.430 local terms energy: -77.950154 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -17.335 flat angles P-C4'-P energy: -12.673 tors. eta vs tors. theta energy: -18.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -171.142558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.142558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.142558 (E_RNA) where: Base-Base interactions energy: -103.819 where: short stacking energy: -56.916 Base-Backbone interact. energy: -0.004 local terms energy: -67.320248 where: bonds (distance) C4'-P energy: -17.206 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -10.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -161.363512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.363512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.363512 (E_RNA) where: Base-Base interactions energy: -104.274 where: short stacking energy: -56.887 Base-Backbone interact. energy: -0.368 local terms energy: -56.722343 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -12.439 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -13.128 tors. eta vs tors. theta energy: -9.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -151.915761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.915761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.915761 (E_RNA) where: Base-Base interactions energy: -86.393 where: short stacking energy: -45.577 Base-Backbone interact. energy: -0.116 local terms energy: -65.406566 where: bonds (distance) C4'-P energy: -16.044 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -9.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -172.317453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.317453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.317453 (E_RNA) where: Base-Base interactions energy: -110.399 where: short stacking energy: -48.095 Base-Backbone interact. energy: -0.648 local terms energy: -61.270600 where: bonds (distance) C4'-P energy: -17.165 bonds (distance) P-C4' energy: -11.268 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -11.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -153.942368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.942368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.942368 (E_RNA) where: Base-Base interactions energy: -97.653 where: short stacking energy: -44.062 Base-Backbone interact. energy: 1.310 local terms energy: -57.599402 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -16.790 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -140.825263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.825263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.825263 (E_RNA) where: Base-Base interactions energy: -81.322 where: short stacking energy: -40.900 Base-Backbone interact. energy: -0.195 local terms energy: -59.308367 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -17.467 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -86.200962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.200962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.200962 (E_RNA) where: Base-Base interactions energy: -38.919 where: short stacking energy: -22.516 Base-Backbone interact. energy: -0.159 local terms energy: -47.123064 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: 0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -137.583570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.583570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.583570 (E_RNA) where: Base-Base interactions energy: -82.632 where: short stacking energy: -36.311 Base-Backbone interact. energy: -0.020 local terms energy: -54.931478 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -8.206 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: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -225.608379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.608379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.608379 (E_RNA) where: Base-Base interactions energy: -149.589 where: short stacking energy: -70.506 Base-Backbone interact. energy: 0.594 local terms energy: -76.612547 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -15.359 flat angles C4'-P-C4' energy: -16.135 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -18.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -209.451652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.451652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.451652 (E_RNA) where: Base-Base interactions energy: -136.011 where: short stacking energy: -68.944 Base-Backbone interact. energy: -0.042 local terms energy: -73.398404 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -15.771 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -16.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -173.458404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.458404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.458404 (E_RNA) where: Base-Base interactions energy: -107.509 where: short stacking energy: -59.825 Base-Backbone interact. energy: 0.976 local terms energy: -66.925291 where: bonds (distance) C4'-P energy: -15.212 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -14.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -168.144608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.144608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.144608 (E_RNA) where: Base-Base interactions energy: -101.583 where: short stacking energy: -59.005 Base-Backbone interact. energy: -0.116 local terms energy: -66.446516 where: bonds (distance) C4'-P energy: -8.820 bonds (distance) P-C4' energy: -15.626 flat angles C4'-P-C4' energy: -17.688 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -12.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -175.184733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.184733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.184733 (E_RNA) where: Base-Base interactions energy: -110.676 where: short stacking energy: -61.004 Base-Backbone interact. energy: -0.150 local terms energy: -64.359389 where: bonds (distance) C4'-P energy: -10.835 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -14.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -162.165595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.165595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.165595 (E_RNA) where: Base-Base interactions energy: -97.968 where: short stacking energy: -55.349 Base-Backbone interact. energy: 1.956 local terms energy: -66.153038 where: bonds (distance) C4'-P energy: -12.977 bonds (distance) P-C4' energy: -14.130 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -17.216 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: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -148.823196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.823196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.823196 (E_RNA) where: Base-Base interactions energy: -90.370 where: short stacking energy: -48.923 Base-Backbone interact. energy: -0.119 local terms energy: -58.334461 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -11.781 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -152.967262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.967262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.967262 (E_RNA) where: Base-Base interactions energy: -97.420 where: short stacking energy: -51.585 Base-Backbone interact. energy: -0.221 local terms energy: -55.326207 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -9.301 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -11.661 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: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -149.322561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.322561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.322561 (E_RNA) where: Base-Base interactions energy: -88.769 where: short stacking energy: -50.641 Base-Backbone interact. energy: -0.051 local terms energy: -60.502718 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -15.184 flat angles P-C4'-P energy: -6.582 tors. eta vs tors. theta energy: -14.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -78.870032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.870032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.870032 (E_RNA) where: Base-Base interactions energy: -42.153 where: short stacking energy: -28.875 Base-Backbone interact. energy: -0.409 local terms energy: -36.307377 where: bonds (distance) C4'-P energy: -9.309 bonds (distance) P-C4' energy: -9.995 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -6.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -228.994464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.994464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.994464 (E_RNA) where: Base-Base interactions energy: -150.220 where: short stacking energy: -76.896 Base-Backbone interact. energy: -0.534 local terms energy: -78.240877 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -17.019 flat angles C4'-P-C4' energy: -13.527 flat angles P-C4'-P energy: -12.250 tors. eta vs tors. theta energy: -19.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -177.776119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.776119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.776119 (E_RNA) where: Base-Base interactions energy: -105.428 where: short stacking energy: -56.040 Base-Backbone interact. energy: -0.499 local terms energy: -71.848546 where: bonds (distance) C4'-P energy: -17.167 bonds (distance) P-C4' energy: -13.625 flat angles C4'-P-C4' energy: -17.161 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -199.467639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.467639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.467639 (E_RNA) where: Base-Base interactions energy: -133.606 where: short stacking energy: -65.749 Base-Backbone interact. energy: -0.168 local terms energy: -65.693092 where: bonds (distance) C4'-P energy: -14.110 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -16.025 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -12.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -174.291258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.291258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.291258 (E_RNA) where: Base-Base interactions energy: -109.408 where: short stacking energy: -58.777 Base-Backbone interact. energy: -0.109 local terms energy: -64.774268 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -17.597 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -13.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -165.895807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.895807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.895807 (E_RNA) where: Base-Base interactions energy: -102.736 where: short stacking energy: -52.270 Base-Backbone interact. energy: -0.128 local terms energy: -63.031771 where: bonds (distance) C4'-P energy: -7.118 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -12.146 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -158.065561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.065561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.065561 (E_RNA) where: Base-Base interactions energy: -93.254 where: short stacking energy: -47.387 Base-Backbone interact. energy: 1.196 local terms energy: -66.007825 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -14.766 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -10.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -145.948858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.948858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.948858 (E_RNA) where: Base-Base interactions energy: -89.064 where: short stacking energy: -45.193 Base-Backbone interact. energy: -0.006 local terms energy: -56.878307 where: bonds (distance) C4'-P energy: -11.442 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -8.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -150.547186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.547186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.547186 (E_RNA) where: Base-Base interactions energy: -90.413 where: short stacking energy: -45.920 Base-Backbone interact. energy: -0.058 local terms energy: -60.075654 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -12.713 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -11.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -144.327348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.327348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.327348 (E_RNA) where: Base-Base interactions energy: -79.737 where: short stacking energy: -40.920 Base-Backbone interact. energy: -0.626 local terms energy: -63.964564 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -14.931 flat angles C4'-P-C4' energy: -16.198 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -10.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -80.703178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.703178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.703178 (E_RNA) where: Base-Base interactions energy: -23.746 where: short stacking energy: -20.936 Base-Backbone interact. energy: -0.322 local terms energy: -56.635214 where: bonds (distance) C4'-P energy: -16.164 bonds (distance) P-C4' energy: -12.971 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -7.772 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -219.148468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.148468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.148468 (E_RNA) where: Base-Base interactions energy: -149.244 where: short stacking energy: -68.526 Base-Backbone interact. energy: -0.259 local terms energy: -69.645108 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -9.967 tors. eta vs tors. theta energy: -16.192 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: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -181.739438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.739438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.739438 (E_RNA) where: Base-Base interactions energy: -106.301 where: short stacking energy: -59.501 Base-Backbone interact. energy: -0.001 local terms energy: -75.436927 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -16.575 flat angles C4'-P-C4' energy: -16.883 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -200.174551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.174551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.174551 (E_RNA) where: Base-Base interactions energy: -130.243 where: short stacking energy: -66.888 Base-Backbone interact. energy: -0.086 local terms energy: -69.844957 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -17.283 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -182.109144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.109144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.109144 (E_RNA) where: Base-Base interactions energy: -115.942 where: short stacking energy: -68.948 Base-Backbone interact. energy: -0.057 local terms energy: -66.109481 where: bonds (distance) C4'-P energy: -17.116 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -11.314 flat angles P-C4'-P energy: -7.769 tors. eta vs tors. theta energy: -18.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -176.383671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.383671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.383671 (E_RNA) where: Base-Base interactions energy: -110.321 where: short stacking energy: -54.251 Base-Backbone interact. energy: -0.275 local terms energy: -65.788476 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -11.195 tors. eta vs tors. theta energy: -11.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -163.647186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.647186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.647186 (E_RNA) where: Base-Base interactions energy: -103.478 where: short stacking energy: -59.266 Base-Backbone interact. energy: -0.316 local terms energy: -59.852870 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -10.132 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -10.514 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: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -154.732157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.732157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.732157 (E_RNA) where: Base-Base interactions energy: -93.737 where: short stacking energy: -51.131 Base-Backbone interact. energy: -0.107 local terms energy: -60.888547 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -14.731 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: -10.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -148.343191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.343191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.343191 (E_RNA) where: Base-Base interactions energy: -94.347 where: short stacking energy: -58.137 Base-Backbone interact. energy: -0.007 local terms energy: -53.989620 where: bonds (distance) C4'-P energy: -7.238 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: -14.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -141.953463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.953463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.953463 (E_RNA) where: Base-Base interactions energy: -88.803 where: short stacking energy: -46.377 Base-Backbone interact. energy: 1.267 local terms energy: -54.416979 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -10.651 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -9.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -83.039783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.039783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.039783 (E_RNA) where: Base-Base interactions energy: -32.464 where: short stacking energy: -25.129 Base-Backbone interact. energy: -0.037 local terms energy: -50.538534 where: bonds (distance) C4'-P energy: -10.666 bonds (distance) P-C4' energy: -18.211 flat angles C4'-P-C4' energy: -9.885 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -1.779 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: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -219.767552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.767552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.767552 (E_RNA) where: Base-Base interactions energy: -147.183 where: short stacking energy: -67.140 Base-Backbone interact. energy: -1.811 local terms energy: -70.773643 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -15.075 flat angles P-C4'-P energy: -13.655 tors. eta vs tors. theta energy: -17.581 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: 4 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -190.336605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.336605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.336605 (E_RNA) where: Base-Base interactions energy: -124.471 where: short stacking energy: -55.335 Base-Backbone interact. energy: 0.058 local terms energy: -65.922786 where: bonds (distance) C4'-P energy: -15.229 bonds (distance) P-C4' energy: -17.405 flat angles C4'-P-C4' energy: -15.528 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -6.520 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: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -180.400506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.400506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.400506 (E_RNA) where: Base-Base interactions energy: -107.411 where: short stacking energy: -52.738 Base-Backbone interact. energy: -0.016 local terms energy: -72.973885 where: bonds (distance) C4'-P energy: -16.049 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -16.019 flat angles P-C4'-P energy: -10.420 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -169.751236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.751236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.751236 (E_RNA) where: Base-Base interactions energy: -104.687 where: short stacking energy: -61.354 Base-Backbone interact. energy: -0.061 local terms energy: -65.003198 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -17.083 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -13.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -169.068889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.068889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.068889 (E_RNA) where: Base-Base interactions energy: -101.499 where: short stacking energy: -56.129 Base-Backbone interact. energy: -0.415 local terms energy: -67.154859 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -155.169698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.169698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.169698 (E_RNA) where: Base-Base interactions energy: -95.993 where: short stacking energy: -51.671 Base-Backbone interact. energy: -0.231 local terms energy: -58.945834 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -14.742 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -142.860201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.860201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.860201 (E_RNA) where: Base-Base interactions energy: -82.822 where: short stacking energy: -37.363 Base-Backbone interact. energy: 0.128 local terms energy: -60.165958 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -155.753640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.753640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.753640 (E_RNA) where: Base-Base interactions energy: -91.900 where: short stacking energy: -47.313 Base-Backbone interact. energy: -0.903 local terms energy: -62.950690 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -19.035 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -8.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -144.124058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.124058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.124058 (E_RNA) where: Base-Base interactions energy: -85.864 where: short stacking energy: -44.949 Base-Backbone interact. energy: -0.135 local terms energy: -58.125763 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -9.905 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -9.828 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: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -97.302114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.302114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.302114 (E_RNA) where: Base-Base interactions energy: -41.658 where: short stacking energy: -33.347 Base-Backbone interact. energy: -0.158 local terms energy: -55.485680 where: bonds (distance) C4'-P energy: -14.751 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -10.926 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -233.230672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.230672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.230672 (E_RNA) where: Base-Base interactions energy: -152.884 where: short stacking energy: -77.507 Base-Backbone interact. energy: -0.701 local terms energy: -79.645509 where: bonds (distance) C4'-P energy: -14.762 bonds (distance) P-C4' energy: -15.130 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -14.017 tors. eta vs tors. theta energy: -20.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -202.587428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.587428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.587428 (E_RNA) where: Base-Base interactions energy: -133.703 where: short stacking energy: -60.389 Base-Backbone interact. energy: -0.612 local terms energy: -68.271987 where: bonds (distance) C4'-P energy: -14.740 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -14.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -184.534120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.534120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.534120 (E_RNA) where: Base-Base interactions energy: -112.782 where: short stacking energy: -58.487 Base-Backbone interact. energy: -0.653 local terms energy: -71.098614 where: bonds (distance) C4'-P energy: -15.344 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -16.042 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -170.873917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.873917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.873917 (E_RNA) where: Base-Base interactions energy: -101.732 where: short stacking energy: -59.095 Base-Backbone interact. energy: -0.117 local terms energy: -69.024951 where: bonds (distance) C4'-P energy: -14.804 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -17.560 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -161.562245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.562245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.562245 (E_RNA) where: Base-Base interactions energy: -102.409 where: short stacking energy: -49.831 Base-Backbone interact. energy: -0.156 local terms energy: -58.997065 where: bonds (distance) C4'-P energy: -13.245 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -8.557 tors. eta vs tors. theta energy: -8.340 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: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -157.068481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.068481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.068481 (E_RNA) where: Base-Base interactions energy: -106.946 where: short stacking energy: -42.243 Base-Backbone interact. energy: 2.010 local terms energy: -52.132374 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -9.685 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -8.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -152.433336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.433336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.433336 (E_RNA) where: Base-Base interactions energy: -105.915 where: short stacking energy: -55.615 Base-Backbone interact. energy: 0.245 local terms energy: -46.763267 where: bonds (distance) C4'-P energy: -5.562 bonds (distance) P-C4' energy: -14.013 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -9.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -148.499868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.499868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.499868 (E_RNA) where: Base-Base interactions energy: -88.534 where: short stacking energy: -44.227 Base-Backbone interact. energy: -0.101 local terms energy: -59.865388 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -12.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -89.280808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.280808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.280808 (E_RNA) where: Base-Base interactions energy: -36.856 where: short stacking energy: -36.856 Base-Backbone interact. energy: -0.032 local terms energy: -52.392945 where: bonds (distance) C4'-P energy: -9.098 bonds (distance) P-C4' energy: -15.603 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -146.338822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.338822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.338822 (E_RNA) where: Base-Base interactions energy: -85.086 where: short stacking energy: -48.892 Base-Backbone interact. energy: -0.047 local terms energy: -61.205690 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -12.960 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -11.666 tors. eta vs tors. theta energy: -12.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -230.777548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.777548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.777548 (E_RNA) where: Base-Base interactions energy: -151.040 where: short stacking energy: -73.943 Base-Backbone interact. energy: -1.259 local terms energy: -78.479286 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -16.708 flat angles C4'-P-C4' energy: -16.658 flat angles P-C4'-P energy: -12.322 tors. eta vs tors. theta energy: -18.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -223.520882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.520882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.520882 (E_RNA) where: Base-Base interactions energy: -144.145 where: short stacking energy: -70.732 Base-Backbone interact. energy: -0.467 local terms energy: -78.909275 where: bonds (distance) C4'-P energy: -14.652 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -17.911 flat angles P-C4'-P energy: -13.311 tors. eta vs tors. theta energy: -17.953 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: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -181.234315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.234315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.234315 (E_RNA) where: Base-Base interactions energy: -104.484 where: short stacking energy: -62.231 Base-Backbone interact. energy: -0.001 local terms energy: -76.749879 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -18.125 flat angles C4'-P-C4' energy: -15.693 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -20.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -164.252804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.252804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.252804 (E_RNA) where: Base-Base interactions energy: -95.921 where: short stacking energy: -52.844 Base-Backbone interact. energy: -0.119 local terms energy: -68.212818 where: bonds (distance) C4'-P energy: -17.327 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -11.596 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: 5, replica: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -171.223032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.223032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.223032 (E_RNA) where: Base-Base interactions energy: -108.495 where: short stacking energy: -64.462 Base-Backbone interact. energy: -0.009 local terms energy: -62.719062 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -14.143 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -154.370424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.370424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.370424 (E_RNA) where: Base-Base interactions energy: -101.781 where: short stacking energy: -37.800 Base-Backbone interact. energy: 0.543 local terms energy: -53.132284 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -152.787116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.787116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.787116 (E_RNA) where: Base-Base interactions energy: -92.552 where: short stacking energy: -46.240 Base-Backbone interact. energy: -0.496 local terms energy: -59.739173 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -8.366 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: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -147.983867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.983867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.983867 (E_RNA) where: Base-Base interactions energy: -91.854 where: short stacking energy: -50.344 Base-Backbone interact. energy: -0.011 local terms energy: -56.119328 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -10.858 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -81.567425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.567425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.567425 (E_RNA) where: Base-Base interactions energy: -25.340 where: short stacking energy: -20.285 Base-Backbone interact. energy: -0.323 local terms energy: -55.904763 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -16.696 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -11.669 tors. eta vs tors. theta energy: -0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -142.521009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.521009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.521009 (E_RNA) where: Base-Base interactions energy: -85.976 where: short stacking energy: -42.249 Base-Backbone interact. energy: -0.169 local terms energy: -56.375970 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -7.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -221.386294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.386294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.386294 (E_RNA) where: Base-Base interactions energy: -142.842 where: short stacking energy: -63.463 Base-Backbone interact. energy: 0.159 local terms energy: -78.702855 where: bonds (distance) C4'-P energy: -15.374 bonds (distance) P-C4' energy: -17.861 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -14.313 tors. eta vs tors. theta energy: -16.585 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: 4 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -220.823108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.823108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.823108 (E_RNA) where: Base-Base interactions energy: -152.819 where: short stacking energy: -74.306 Base-Backbone interact. energy: -0.685 local terms energy: -67.319099 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -15.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -176.735081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.735081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.735081 (E_RNA) where: Base-Base interactions energy: -104.244 where: short stacking energy: -66.535 Base-Backbone interact. energy: -0.045 local terms energy: -72.446373 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -18.474 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: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -160.948969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.948969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.948969 (E_RNA) where: Base-Base interactions energy: -96.091 where: short stacking energy: -48.730 Base-Backbone interact. energy: -0.900 local terms energy: -63.957987 where: bonds (distance) C4'-P energy: -15.205 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -15.463 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -6.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -168.842843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.842843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.842843 (E_RNA) where: Base-Base interactions energy: -105.128 where: short stacking energy: -43.863 Base-Backbone interact. energy: -0.293 local terms energy: -63.422698 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -14.661 flat angles C4'-P-C4' energy: -17.271 flat angles P-C4'-P energy: -10.257 tors. eta vs tors. theta energy: -8.960 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: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -155.786305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.786305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.786305 (E_RNA) where: Base-Base interactions energy: -94.523 where: short stacking energy: -48.073 Base-Backbone interact. energy: -0.320 local terms energy: -60.943890 where: bonds (distance) C4'-P energy: -15.424 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -16.159 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -11.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -145.845813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.845813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.845813 (E_RNA) where: Base-Base interactions energy: -89.550 where: short stacking energy: -53.583 Base-Backbone interact. energy: -1.006 local terms energy: -55.289582 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -12.248 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -9.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -139.656599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.656599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.656599 (E_RNA) where: Base-Base interactions energy: -83.920 where: short stacking energy: -42.301 Base-Backbone interact. energy: -0.586 local terms energy: -55.150008 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -11.230 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -7.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -138.369596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.369596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.369596 (E_RNA) where: Base-Base interactions energy: -84.661 where: short stacking energy: -39.677 Base-Backbone interact. energy: -0.026 local terms energy: -53.682545 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -73.862473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.862473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.862473 (E_RNA) where: Base-Base interactions energy: -26.859 where: short stacking energy: -20.884 Base-Backbone interact. energy: -0.325 local terms energy: -46.678356 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -7.449 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -218.882591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.882591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.882591 (E_RNA) where: Base-Base interactions energy: -143.363 where: short stacking energy: -71.286 Base-Backbone interact. energy: -0.103 local terms energy: -75.416740 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -16.968 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -18.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -219.812417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.812417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.812417 (E_RNA) where: Base-Base interactions energy: -148.857 where: short stacking energy: -73.093 Base-Backbone interact. energy: -0.139 local terms energy: -70.816169 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -20.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -175.468634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.468634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.468634 (E_RNA) where: Base-Base interactions energy: -104.274 where: short stacking energy: -67.187 Base-Backbone interact. energy: -0.001 local terms energy: -71.193437 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -16.103 flat angles C4'-P-C4' energy: -16.926 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -18.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -165.342264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.342264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.342264 (E_RNA) where: Base-Base interactions energy: -101.406 where: short stacking energy: -60.115 Base-Backbone interact. energy: -0.105 local terms energy: -63.831051 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -10.405 tors. eta vs tors. theta energy: -8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -166.368549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.368549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.368549 (E_RNA) where: Base-Base interactions energy: -98.384 where: short stacking energy: -58.871 Base-Backbone interact. energy: -0.015 local terms energy: -67.970089 where: bonds (distance) C4'-P energy: -15.648 bonds (distance) P-C4' energy: -11.975 flat angles C4'-P-C4' energy: -17.344 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -150.616598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.616598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.616598 (E_RNA) where: Base-Base interactions energy: -92.480 where: short stacking energy: -49.123 Base-Backbone interact. energy: -0.149 local terms energy: -57.987625 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -17.742 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -150.805187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.805187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.805187 (E_RNA) where: Base-Base interactions energy: -88.293 where: short stacking energy: -35.755 Base-Backbone interact. energy: -0.119 local terms energy: -62.393234 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -16.844 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -141.890112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.890112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.890112 (E_RNA) where: Base-Base interactions energy: -91.391 where: short stacking energy: -45.343 Base-Backbone interact. energy: -0.033 local terms energy: -50.466310 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -9.840 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -8.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -145.984233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.984233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.984233 (E_RNA) where: Base-Base interactions energy: -90.478 where: short stacking energy: -52.248 Base-Backbone interact. energy: -0.007 local terms energy: -55.499923 where: bonds (distance) C4'-P energy: -8.123 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -9.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -83.255372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.255372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.255372 (E_RNA) where: Base-Base interactions energy: -28.248 where: short stacking energy: -17.879 Base-Backbone interact. energy: -0.450 local terms energy: -54.557439 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -17.477 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -218.650069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.650069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.650069 (E_RNA) where: Base-Base interactions energy: -143.164 where: short stacking energy: -70.357 Base-Backbone interact. energy: -0.269 local terms energy: -75.217467 where: bonds (distance) C4'-P energy: -16.197 bonds (distance) P-C4' energy: -18.119 flat angles C4'-P-C4' energy: -15.396 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -17.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -221.904380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.904380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.904380 (E_RNA) where: Base-Base interactions energy: -146.468 where: short stacking energy: -71.339 Base-Backbone interact. energy: -0.576 local terms energy: -74.859763 where: bonds (distance) C4'-P energy: -15.025 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -17.027 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -177.011305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.011305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.011305 (E_RNA) where: Base-Base interactions energy: -108.795 where: short stacking energy: -62.995 Base-Backbone interact. energy: -0.011 local terms energy: -68.204711 where: bonds (distance) C4'-P energy: -15.444 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -15.646 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -16.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -157.354027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.354027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.354027 (E_RNA) where: Base-Base interactions energy: -93.762 where: short stacking energy: -52.421 Base-Backbone interact. energy: -0.884 local terms energy: -62.707670 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -16.430 flat angles C4'-P-C4' energy: -17.400 flat angles P-C4'-P energy: -12.105 tors. eta vs tors. theta energy: -5.837 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: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -165.139094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.139094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.139094 (E_RNA) where: Base-Base interactions energy: -94.156 where: short stacking energy: -51.659 Base-Backbone interact. energy: -0.044 local terms energy: -70.939477 where: bonds (distance) C4'-P energy: -15.669 bonds (distance) P-C4' energy: -16.936 flat angles C4'-P-C4' energy: -14.590 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -163.024480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.024480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.024480 (E_RNA) where: Base-Base interactions energy: -99.737 where: short stacking energy: -48.399 Base-Backbone interact. energy: 0.021 local terms energy: -63.308497 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -10.243 flat angles P-C4'-P energy: -12.283 tors. eta vs tors. theta energy: -13.141 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: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -144.626350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.626350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.626350 (E_RNA) where: Base-Base interactions energy: -87.523 where: short stacking energy: -48.152 Base-Backbone interact. energy: -0.578 local terms energy: -56.525610 where: bonds (distance) C4'-P energy: -10.694 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -12.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -136.803978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.803978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.803978 (E_RNA) where: Base-Base interactions energy: -81.794 where: short stacking energy: -40.625 Base-Backbone interact. energy: 1.101 local terms energy: -56.110760 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -17.560 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -141.093212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.093212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.093212 (E_RNA) where: Base-Base interactions energy: -89.411 where: short stacking energy: -39.527 Base-Backbone interact. energy: -0.301 local terms energy: -51.381644 where: bonds (distance) C4'-P energy: -15.667 bonds (distance) P-C4' energy: -11.737 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -83.148619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.148619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.148619 (E_RNA) where: Base-Base interactions energy: -31.347 where: short stacking energy: -19.243 Base-Backbone interact. energy: 1.027 local terms energy: -52.828263 where: bonds (distance) C4'-P energy: -13.556 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -17.603 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: 1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -225.473165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.473165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.473165 (E_RNA) where: Base-Base interactions energy: -146.682 where: short stacking energy: -69.459 Base-Backbone interact. energy: 0.063 local terms energy: -78.854771 where: bonds (distance) C4'-P energy: -16.860 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -10.829 tors. eta vs tors. theta energy: -16.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -220.131215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.131215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.131215 (E_RNA) where: Base-Base interactions energy: -144.132 where: short stacking energy: -68.067 Base-Backbone interact. energy: -0.319 local terms energy: -75.679430 where: bonds (distance) C4'-P energy: -15.356 bonds (distance) P-C4' energy: -17.778 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -12.820 tors. eta vs tors. theta energy: -16.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -182.543266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.543266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.543266 (E_RNA) where: Base-Base interactions energy: -115.592 where: short stacking energy: -65.456 Base-Backbone interact. energy: -0.025 local terms energy: -66.926428 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -15.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -175.559686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.559686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.559686 (E_RNA) where: Base-Base interactions energy: -104.832 where: short stacking energy: -54.978 Base-Backbone interact. energy: -0.757 local terms energy: -69.970170 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -16.439 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -16.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -164.007176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.007176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.007176 (E_RNA) where: Base-Base interactions energy: -95.894 where: short stacking energy: -54.520 Base-Backbone interact. energy: -0.051 local terms energy: -68.061549 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -13.978 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -15.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -146.094912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.094912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.094912 (E_RNA) where: Base-Base interactions energy: -84.316 where: short stacking energy: -42.143 Base-Backbone interact. energy: -0.086 local terms energy: -61.693101 where: bonds (distance) C4'-P energy: -15.498 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -14.189 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -149.702470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.702470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.702470 (E_RNA) where: Base-Base interactions energy: -85.885 where: short stacking energy: -43.267 Base-Backbone interact. energy: -0.197 local terms energy: -63.619479 where: bonds (distance) C4'-P energy: -14.824 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -16.383 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -8.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -139.390503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.390503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.390503 (E_RNA) where: Base-Base interactions energy: -94.697 where: short stacking energy: -42.634 Base-Backbone interact. energy: -0.596 local terms energy: -44.097574 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -8.711 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -130.629713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.629713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.629713 (E_RNA) where: Base-Base interactions energy: -89.739 where: short stacking energy: -43.961 Base-Backbone interact. energy: -0.167 local terms energy: -40.723189 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -17.527 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: 0.310 tors. eta vs tors. theta energy: -3.999 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: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -89.795792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.795792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.795792 (E_RNA) where: Base-Base interactions energy: -39.491 where: short stacking energy: -26.960 Base-Backbone interact. energy: -0.323 local terms energy: -49.981237 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -13.710 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -5.748 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: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -227.606029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.606029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.606029 (E_RNA) where: Base-Base interactions energy: -143.714 where: short stacking energy: -70.250 Base-Backbone interact. energy: -0.492 local terms energy: -83.399801 where: bonds (distance) C4'-P energy: -16.624 bonds (distance) P-C4' energy: -14.816 flat angles C4'-P-C4' energy: -18.702 flat angles P-C4'-P energy: -12.623 tors. eta vs tors. theta energy: -20.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -228.331650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.331650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.331650 (E_RNA) where: Base-Base interactions energy: -151.466 where: short stacking energy: -68.833 Base-Backbone interact. energy: -0.578 local terms energy: -76.287702 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -15.327 flat angles P-C4'-P energy: -11.716 tors. eta vs tors. theta energy: -19.486 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: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -176.527063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.527063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.527063 (E_RNA) where: Base-Base interactions energy: -109.736 where: short stacking energy: -63.595 Base-Backbone interact. energy: -0.008 local terms energy: -66.783160 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -9.168 tors. eta vs tors. theta energy: -17.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -183.837303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.837303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.837303 (E_RNA) where: Base-Base interactions energy: -115.688 where: short stacking energy: -53.739 Base-Backbone interact. energy: 0.563 local terms energy: -68.711937 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -17.432 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -14.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -161.232683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.232683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.232683 (E_RNA) where: Base-Base interactions energy: -102.868 where: short stacking energy: -49.395 Base-Backbone interact. energy: -0.678 local terms energy: -57.686913 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -9.961 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: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -154.879266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.879266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.879266 (E_RNA) where: Base-Base interactions energy: -92.955 where: short stacking energy: -38.196 Base-Backbone interact. energy: -0.238 local terms energy: -61.685716 where: bonds (distance) C4'-P energy: -16.351 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -15.982 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -160.503257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.503257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.503257 (E_RNA) where: Base-Base interactions energy: -109.548 where: short stacking energy: -43.187 Base-Backbone interact. energy: -0.036 local terms energy: -50.918566 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -7.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -154.854033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.854033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.854033 (E_RNA) where: Base-Base interactions energy: -92.269 where: short stacking energy: -50.383 Base-Backbone interact. energy: -0.124 local terms energy: -62.460652 where: bonds (distance) C4'-P energy: -16.720 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: -10.908 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: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -124.841307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.841307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.841307 (E_RNA) where: Base-Base interactions energy: -75.469 where: short stacking energy: -30.912 Base-Backbone interact. energy: -0.137 local terms energy: -49.235907 where: bonds (distance) C4'-P energy: -15.801 bonds (distance) P-C4' energy: -12.924 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -77.510709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.510709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.510709 (E_RNA) where: Base-Base interactions energy: -27.338 where: short stacking energy: -24.613 Base-Backbone interact. energy: -0.499 local terms energy: -49.673969 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -16.969 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: 0.394 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: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -221.689818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.689818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.689818 (E_RNA) where: Base-Base interactions energy: -151.906 where: short stacking energy: -69.052 Base-Backbone interact. energy: -0.272 local terms energy: -69.511937 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -11.261 tors. eta vs tors. theta energy: -17.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -224.958680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.958680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.958680 (E_RNA) where: Base-Base interactions energy: -146.251 where: short stacking energy: -72.368 Base-Backbone interact. energy: -1.231 local terms energy: -77.476864 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -17.393 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -14.050 tors. eta vs tors. theta energy: -18.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -177.513322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.513322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.513322 (E_RNA) where: Base-Base interactions energy: -108.979 where: short stacking energy: -57.401 Base-Backbone interact. energy: -0.283 local terms energy: -68.251084 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -16.965 flat angles C4'-P-C4' energy: -15.105 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -190.452893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.452893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.452893 (E_RNA) where: Base-Base interactions energy: -116.968 where: short stacking energy: -71.302 Base-Backbone interact. energy: -0.661 local terms energy: -72.824867 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -17.383 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -17.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -173.022240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.022240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.022240 (E_RNA) where: Base-Base interactions energy: -106.072 where: short stacking energy: -56.851 Base-Backbone interact. energy: -0.006 local terms energy: -66.943832 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -15.922 flat angles P-C4'-P energy: -12.399 tors. eta vs tors. theta energy: -16.797 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: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -152.913522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.913522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.913522 (E_RNA) where: Base-Base interactions energy: -89.040 where: short stacking energy: -47.123 Base-Backbone interact. energy: -0.750 local terms energy: -63.124106 where: bonds (distance) C4'-P energy: -12.634 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -9.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -161.896547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.896547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.896547 (E_RNA) where: Base-Base interactions energy: -99.365 where: short stacking energy: -60.509 Base-Backbone interact. energy: -0.046 local terms energy: -62.485237 where: bonds (distance) C4'-P energy: -7.971 bonds (distance) P-C4' energy: -17.262 flat angles C4'-P-C4' energy: -15.134 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -14.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -147.683134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.683134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.683134 (E_RNA) where: Base-Base interactions energy: -88.459 where: short stacking energy: -39.272 Base-Backbone interact. energy: -0.122 local terms energy: -59.102748 where: bonds (distance) C4'-P energy: -15.116 bonds (distance) P-C4' energy: -16.329 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: -6.977 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: 361 Temperature: 1.300000 Total energy: -131.136917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.136917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.136917 (E_RNA) where: Base-Base interactions energy: -87.412 where: short stacking energy: -46.539 Base-Backbone interact. energy: -0.151 local terms energy: -43.574466 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -8.751 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -83.124105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.124105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.124105 (E_RNA) where: Base-Base interactions energy: -27.211 where: short stacking energy: -22.503 Base-Backbone interact. energy: -0.216 local terms energy: -55.696920 where: bonds (distance) C4'-P energy: -14.721 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -226.419268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.419268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.419268 (E_RNA) where: Base-Base interactions energy: -152.585 where: short stacking energy: -72.130 Base-Backbone interact. energy: -0.724 local terms energy: -73.110270 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -10.546 tors. eta vs tors. theta energy: -18.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -210.067765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.067765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.067765 (E_RNA) where: Base-Base interactions energy: -141.212 where: short stacking energy: -60.789 Base-Backbone interact. energy: -0.283 local terms energy: -68.572255 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -15.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -179.047902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.047902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.047902 (E_RNA) where: Base-Base interactions energy: -108.394 where: short stacking energy: -52.435 Base-Backbone interact. energy: -0.191 local terms energy: -70.463603 where: bonds (distance) C4'-P energy: -14.449 bonds (distance) P-C4' energy: -18.665 flat angles C4'-P-C4' energy: -15.337 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -12.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -164.140085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.140085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.140085 (E_RNA) where: Base-Base interactions energy: -89.702 where: short stacking energy: -45.491 Base-Backbone interact. energy: -0.388 local terms energy: -74.050274 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -16.879 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -14.134 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: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -147.462348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.462348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.462348 (E_RNA) where: Base-Base interactions energy: -94.384 where: short stacking energy: -45.984 Base-Backbone interact. energy: 0.151 local terms energy: -53.229591 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -1.700 tors. eta vs tors. theta energy: -9.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -152.015960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.015960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.015960 (E_RNA) where: Base-Base interactions energy: -88.365 where: short stacking energy: -46.751 Base-Backbone interact. energy: -0.828 local terms energy: -62.823139 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -9.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -153.785422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.785422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.785422 (E_RNA) where: Base-Base interactions energy: -94.427 where: short stacking energy: -48.425 Base-Backbone interact. energy: 0.438 local terms energy: -59.796394 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -10.988 flat angles P-C4'-P energy: -8.013 tors. eta vs tors. theta energy: -9.433 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: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -153.160556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.160556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.160556 (E_RNA) where: Base-Base interactions energy: -93.174 where: short stacking energy: -53.125 Base-Backbone interact. energy: -0.078 local terms energy: -59.908947 where: bonds (distance) C4'-P energy: -14.637 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -13.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -80.965480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.965480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.965480 (E_RNA) where: Base-Base interactions energy: -32.417 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.266 local terms energy: -48.281844 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -2.468 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: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -77.796072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.796072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.796072 (E_RNA) where: Base-Base interactions energy: -22.993 where: short stacking energy: -22.208 Base-Backbone interact. energy: -0.156 local terms energy: -54.646901 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -17.706 flat angles C4'-P-C4' energy: -16.273 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: 0.308 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: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -223.504392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.504392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.504392 (E_RNA) where: Base-Base interactions energy: -144.669 where: short stacking energy: -71.902 Base-Backbone interact. energy: -0.605 local terms energy: -78.230677 where: bonds (distance) C4'-P energy: -13.652 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -12.600 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -218.569785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.569785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.569785 (E_RNA) where: Base-Base interactions energy: -144.139 where: short stacking energy: -68.355 Base-Backbone interact. energy: -0.305 local terms energy: -74.126034 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -12.498 tors. eta vs tors. theta energy: -20.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -173.643389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.643389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.643389 (E_RNA) where: Base-Base interactions energy: -102.165 where: short stacking energy: -59.142 Base-Backbone interact. energy: -0.189 local terms energy: -71.289026 where: bonds (distance) C4'-P energy: -15.258 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -13.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -172.224241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.224241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.224241 (E_RNA) where: Base-Base interactions energy: -107.143 where: short stacking energy: -47.592 Base-Backbone interact. energy: -1.232 local terms energy: -63.849344 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -7.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -157.697403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.697403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.697403 (E_RNA) where: Base-Base interactions energy: -103.752 where: short stacking energy: -40.334 Base-Backbone interact. energy: -0.224 local terms energy: -53.721279 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -8.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -147.419721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.419721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.419721 (E_RNA) where: Base-Base interactions energy: -83.616 where: short stacking energy: -42.877 Base-Backbone interact. energy: -0.200 local terms energy: -63.603052 where: bonds (distance) C4'-P energy: -14.727 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -16.531 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -7.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -149.825992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.825992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.825992 (E_RNA) where: Base-Base interactions energy: -86.425 where: short stacking energy: -41.649 Base-Backbone interact. energy: -0.073 local terms energy: -63.328305 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -17.957 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -95.563183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.563183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.563183 (E_RNA) where: Base-Base interactions energy: -41.658 where: short stacking energy: -41.658 Base-Backbone interact. energy: -0.361 local terms energy: -53.543862 where: bonds (distance) C4'-P energy: -15.290 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -142.415971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.415971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.415971 (E_RNA) where: Base-Base interactions energy: -86.811 where: short stacking energy: -34.094 Base-Backbone interact. energy: -0.190 local terms energy: -55.415088 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -10.088 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -9.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -80.144176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.144176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.144176 (E_RNA) where: Base-Base interactions energy: -30.902 where: short stacking energy: -18.356 Base-Backbone interact. energy: -0.422 local terms energy: -48.820346 where: bonds (distance) C4'-P energy: -18.056 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: 1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -225.614495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.614495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.614495 (E_RNA) where: Base-Base interactions energy: -148.989 where: short stacking energy: -73.269 Base-Backbone interact. energy: -0.670 local terms energy: -75.955652 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -16.164 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -18.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -221.668489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.668489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.668489 (E_RNA) where: Base-Base interactions energy: -151.868 where: short stacking energy: -76.671 Base-Backbone interact. energy: -0.206 local terms energy: -69.594455 where: bonds (distance) C4'-P energy: -9.155 bonds (distance) P-C4' energy: -16.418 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -17.636 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: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -174.036378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.036378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.036378 (E_RNA) where: Base-Base interactions energy: -106.044 where: short stacking energy: -57.761 Base-Backbone interact. energy: 1.607 local terms energy: -69.599650 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -12.633 flat angles C4'-P-C4' energy: -17.234 flat angles P-C4'-P energy: -12.990 tors. eta vs tors. theta energy: -12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -169.960408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.960408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.960408 (E_RNA) where: Base-Base interactions energy: -106.478 where: short stacking energy: -56.155 Base-Backbone interact. energy: -0.076 local terms energy: -63.405682 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -13.173 flat angles C4'-P-C4' energy: -12.635 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -13.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -167.237319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.237319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.237319 (E_RNA) where: Base-Base interactions energy: -105.663 where: short stacking energy: -54.140 Base-Backbone interact. energy: -0.033 local terms energy: -61.541474 where: bonds (distance) C4'-P energy: -7.805 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -11.246 tors. eta vs tors. theta energy: -15.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -162.350389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.350389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.350389 (E_RNA) where: Base-Base interactions energy: -98.139 where: short stacking energy: -54.691 Base-Backbone interact. energy: -0.140 local terms energy: -64.071669 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -17.799 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -10.346 tors. eta vs tors. theta energy: -13.124 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: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -106.743612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.743612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.743612 (E_RNA) where: Base-Base interactions energy: -55.367 where: short stacking energy: -36.262 Base-Backbone interact. energy: 1.378 local terms energy: -52.754335 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -8.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -164.188007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.188007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.188007 (E_RNA) where: Base-Base interactions energy: -103.666 where: short stacking energy: -54.431 Base-Backbone interact. energy: -0.232 local terms energy: -60.290455 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -16.729 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -13.545 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: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -142.946726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.946726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.946726 (E_RNA) where: Base-Base interactions energy: -84.272 where: short stacking energy: -43.587 Base-Backbone interact. energy: -0.061 local terms energy: -58.613260 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -11.985 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: 364 Temperature: 1.350000 Total energy: -72.384554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.384554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.384554 (E_RNA) where: Base-Base interactions energy: -29.450 where: short stacking energy: -29.450 Base-Backbone interact. energy: -0.129 local terms energy: -42.805779 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -15.546 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -0.341 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -225.352191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.352191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.352191 (E_RNA) where: Base-Base interactions energy: -146.600 where: short stacking energy: -69.826 Base-Backbone interact. energy: -0.438 local terms energy: -78.314113 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -16.011 flat angles C4'-P-C4' energy: -17.199 flat angles P-C4'-P energy: -11.994 tors. eta vs tors. theta energy: -19.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -225.510166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.510166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.510166 (E_RNA) where: Base-Base interactions energy: -150.006 where: short stacking energy: -63.286 Base-Backbone interact. energy: 0.052 local terms energy: -75.556491 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -17.292 flat angles C4'-P-C4' energy: -17.245 flat angles P-C4'-P energy: -11.382 tors. eta vs tors. theta energy: -18.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -163.081019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.081019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.081019 (E_RNA) where: Base-Base interactions energy: -98.514 where: short stacking energy: -56.351 Base-Backbone interact. energy: -0.579 local terms energy: -63.988342 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -8.647 tors. eta vs tors. theta energy: -11.988 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: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -169.172688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.172688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.172688 (E_RNA) where: Base-Base interactions energy: -104.958 where: short stacking energy: -54.852 Base-Backbone interact. energy: -0.575 local terms energy: -63.639733 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -12.192 tors. eta vs tors. theta energy: -11.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -154.539921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.539921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.539921 (E_RNA) where: Base-Base interactions energy: -96.164 where: short stacking energy: -51.671 Base-Backbone interact. energy: 0.662 local terms energy: -59.038264 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -12.897 tors. eta vs tors. theta energy: -10.136 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: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -165.177684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.177684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.177684 (E_RNA) where: Base-Base interactions energy: -97.508 where: short stacking energy: -54.681 Base-Backbone interact. energy: 1.257 local terms energy: -68.926612 where: bonds (distance) C4'-P energy: -15.569 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -15.314 flat angles P-C4'-P energy: -12.578 tors. eta vs tors. theta energy: -11.729 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: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -96.399638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.399638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.399638 (E_RNA) where: Base-Base interactions energy: -41.369 where: short stacking energy: -26.859 Base-Backbone interact. energy: 0.053 local terms energy: -55.083978 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -14.221 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -139.187321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.187321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.187321 (E_RNA) where: Base-Base interactions energy: -85.695 where: short stacking energy: -43.765 Base-Backbone interact. energy: -0.070 local terms energy: -53.422725 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -12.513 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -6.394 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: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -130.596575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.596575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.596575 (E_RNA) where: Base-Base interactions energy: -87.386 where: short stacking energy: -41.846 Base-Backbone interact. energy: -0.136 local terms energy: -43.074560 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -9.285 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -3.912 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: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -77.727969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.727969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.727969 (E_RNA) where: Base-Base interactions energy: -30.616 where: short stacking energy: -24.434 Base-Backbone interact. energy: 0.809 local terms energy: -47.920641 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: 2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -224.876453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.876453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.876453 (E_RNA) where: Base-Base interactions energy: -145.948 where: short stacking energy: -71.297 Base-Backbone interact. energy: -0.556 local terms energy: -78.373013 where: bonds (distance) C4'-P energy: -16.582 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -18.524 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -18.011 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: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -223.420564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.420564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.420564 (E_RNA) where: Base-Base interactions energy: -144.526 where: short stacking energy: -71.762 Base-Backbone interact. energy: -0.427 local terms energy: -78.468236 where: bonds (distance) C4'-P energy: -17.923 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -20.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -174.276074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.276074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.276074 (E_RNA) where: Base-Base interactions energy: -107.257 where: short stacking energy: -60.575 Base-Backbone interact. energy: -0.091 local terms energy: -66.927631 where: bonds (distance) C4'-P energy: -14.165 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -15.556 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -15.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -164.820523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.820523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.820523 (E_RNA) where: Base-Base interactions energy: -101.434 where: short stacking energy: -54.665 Base-Backbone interact. energy: -1.188 local terms energy: -62.198454 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -166.544478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.544478 (E_RNA) where: Base-Base interactions energy: -97.267 where: short stacking energy: -53.335 Base-Backbone interact. energy: -0.006 local terms energy: -69.271186 where: bonds (distance) C4'-P energy: -16.436 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -9.987 tors. eta vs tors. theta energy: -11.882 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: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -145.779123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.779123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.779123 (E_RNA) where: Base-Base interactions energy: -88.002 where: short stacking energy: -43.870 Base-Backbone interact. energy: -0.111 local terms energy: -57.666548 where: bonds (distance) C4'-P energy: -10.179 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -9.456 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: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -159.290257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.290257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.290257 (E_RNA) where: Base-Base interactions energy: -98.832 where: short stacking energy: -51.043 Base-Backbone interact. energy: -0.002 local terms energy: -60.456485 where: bonds (distance) C4'-P energy: -14.976 bonds (distance) P-C4' energy: -13.083 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -12.747 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: 366 Temperature: 1.250000 Total energy: -84.745030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.745030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.745030 (E_RNA) where: Base-Base interactions energy: -30.422 where: short stacking energy: -29.505 Base-Backbone interact. energy: 0.522 local terms energy: -54.844845 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -87.985439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.985439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.985439 (E_RNA) where: Base-Base interactions energy: -32.272 where: short stacking energy: -32.272 Base-Backbone interact. energy: -0.097 local terms energy: -55.616638 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -124.005797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.005797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.005797 (E_RNA) where: Base-Base interactions energy: -77.097 where: short stacking energy: -36.930 Base-Backbone interact. energy: 1.000 local terms energy: -47.908858 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -10.230 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -6.516 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: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -226.132734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.132734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.132734 (E_RNA) where: Base-Base interactions energy: -150.249 where: short stacking energy: -74.011 Base-Backbone interact. energy: -0.496 local terms energy: -75.387913 where: bonds (distance) C4'-P energy: -14.955 bonds (distance) P-C4' energy: -16.630 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -20.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -218.900405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.900405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.900405 (E_RNA) where: Base-Base interactions energy: -144.827 where: short stacking energy: -68.828 Base-Backbone interact. energy: -0.364 local terms energy: -73.709155 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -17.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -169.961845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.961845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.961845 (E_RNA) where: Base-Base interactions energy: -107.080 where: short stacking energy: -53.955 Base-Backbone interact. energy: -0.090 local terms energy: -62.791607 where: bonds (distance) C4'-P energy: -14.770 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -12.134 tors. eta vs tors. theta energy: -10.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -169.267469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.267469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.267469 (E_RNA) where: Base-Base interactions energy: -101.941 where: short stacking energy: -56.982 Base-Backbone interact. energy: 1.785 local terms energy: -69.111596 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -16.701 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -13.395 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: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -161.681956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.681956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.681956 (E_RNA) where: Base-Base interactions energy: -105.569 where: short stacking energy: -49.309 Base-Backbone interact. energy: -0.453 local terms energy: -55.659928 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -7.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -153.141894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.141894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.141894 (E_RNA) where: Base-Base interactions energy: -89.882 where: short stacking energy: -45.891 Base-Backbone interact. energy: 0.305 local terms energy: -63.565417 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -11.611 tors. eta vs tors. theta energy: -9.312 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: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -150.042895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.042895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.042895 (E_RNA) where: Base-Base interactions energy: -87.109 where: short stacking energy: -42.277 Base-Backbone interact. energy: -0.122 local terms energy: -62.811894 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -79.073523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.073523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.073523 (E_RNA) where: Base-Base interactions energy: -36.404 where: short stacking energy: -30.633 Base-Backbone interact. energy: -0.390 local terms energy: -42.279702 where: bonds (distance) C4'-P energy: -9.508 bonds (distance) P-C4' energy: -13.590 flat angles C4'-P-C4' energy: -10.669 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -94.763356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.763356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.763356 (E_RNA) where: Base-Base interactions energy: -39.664 where: short stacking energy: -38.324 Base-Backbone interact. energy: -0.009 local terms energy: -55.090504 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -12.564 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -9.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -82.525233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.525233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.525233 (E_RNA) where: Base-Base interactions energy: -42.458 where: short stacking energy: -24.543 Base-Backbone interact. energy: 1.136 local terms energy: -41.203157 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -9.412 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -212.447554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.447554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.447554 (E_RNA) where: Base-Base interactions energy: -141.951 where: short stacking energy: -62.395 Base-Backbone interact. energy: 0.806 local terms energy: -71.302236 where: bonds (distance) C4'-P energy: -9.675 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -17.993 flat angles P-C4'-P energy: -12.102 tors. eta vs tors. theta energy: -15.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -223.780822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.780822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.780822 (E_RNA) where: Base-Base interactions energy: -151.577 where: short stacking energy: -70.059 Base-Backbone interact. energy: -0.385 local terms energy: -71.819148 where: bonds (distance) C4'-P energy: -16.244 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -17.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -178.253205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.253205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.253205 (E_RNA) where: Base-Base interactions energy: -106.794 where: short stacking energy: -45.716 Base-Backbone interact. energy: -0.270 local terms energy: -71.188249 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -16.957 flat angles C4'-P-C4' energy: -17.007 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -10.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -171.626659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.626659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.626659 (E_RNA) where: Base-Base interactions energy: -110.307 where: short stacking energy: -64.823 Base-Backbone interact. energy: -0.006 local terms energy: -61.313992 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -9.052 flat angles C4'-P-C4' energy: -13.884 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -14.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -162.423197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.423197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.423197 (E_RNA) where: Base-Base interactions energy: -103.649 where: short stacking energy: -49.026 Base-Backbone interact. energy: -0.116 local terms energy: -58.657216 where: bonds (distance) C4'-P energy: -10.813 bonds (distance) P-C4' energy: -16.133 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -13.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -154.301333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.301333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.301333 (E_RNA) where: Base-Base interactions energy: -96.842 where: short stacking energy: -56.025 Base-Backbone interact. energy: -0.828 local terms energy: -56.631175 where: bonds (distance) C4'-P energy: -9.846 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -158.144154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.144154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.144154 (E_RNA) where: Base-Base interactions energy: -95.470 where: short stacking energy: -57.727 Base-Backbone interact. energy: -0.003 local terms energy: -62.670461 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -9.949 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -15.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -90.611243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.611243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.611243 (E_RNA) where: Base-Base interactions energy: -37.024 where: short stacking energy: -26.041 Base-Backbone interact. energy: -0.268 local terms energy: -53.318820 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -16.826 flat angles C4'-P-C4' energy: -15.669 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -84.761413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.761413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.761413 (E_RNA) where: Base-Base interactions energy: -32.100 where: short stacking energy: -20.864 Base-Backbone interact. energy: -0.541 local terms energy: -52.120363 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -12.546 flat angles P-C4'-P energy: -10.836 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -79.271840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.271840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.271840 (E_RNA) where: Base-Base interactions energy: -27.714 where: short stacking energy: -26.217 Base-Backbone interact. energy: -0.232 local terms energy: -51.325118 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -213.232680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.232680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.232680 (E_RNA) where: Base-Base interactions energy: -142.817 where: short stacking energy: -67.449 Base-Backbone interact. energy: 2.650 local terms energy: -73.065608 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -17.196 flat angles P-C4'-P energy: -12.386 tors. eta vs tors. theta energy: -16.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -226.169726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.169726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.169726 (E_RNA) where: Base-Base interactions energy: -150.993 where: short stacking energy: -74.298 Base-Backbone interact. energy: -0.890 local terms energy: -74.286371 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -17.009 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -19.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -187.638836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.638836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.638836 (E_RNA) where: Base-Base interactions energy: -115.356 where: short stacking energy: -55.732 Base-Backbone interact. energy: -0.517 local terms energy: -71.765544 where: bonds (distance) C4'-P energy: -14.505 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -14.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -167.567392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.567392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.567392 (E_RNA) where: Base-Base interactions energy: -99.221 where: short stacking energy: -52.527 Base-Backbone interact. energy: -0.310 local terms energy: -68.036496 where: bonds (distance) C4'-P energy: -15.841 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -14.232 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: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -170.148742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.148742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.148742 (E_RNA) where: Base-Base interactions energy: -98.229 where: short stacking energy: -58.194 Base-Backbone interact. energy: -0.018 local terms energy: -71.901497 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -17.153 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -16.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -162.272420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.272420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.272420 (E_RNA) where: Base-Base interactions energy: -94.487 where: short stacking energy: -47.273 Base-Backbone interact. energy: -0.636 local terms energy: -67.149612 where: bonds (distance) C4'-P energy: -15.051 bonds (distance) P-C4' energy: -17.404 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -11.583 tors. eta vs tors. theta energy: -8.861 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: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -139.859919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.859919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.859919 (E_RNA) where: Base-Base interactions energy: -86.289 where: short stacking energy: -38.002 Base-Backbone interact. energy: 0.088 local terms energy: -53.659679 where: bonds (distance) C4'-P energy: -9.017 bonds (distance) P-C4' energy: -16.591 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -96.612876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.612876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.612876 (E_RNA) where: Base-Base interactions energy: -48.784 where: short stacking energy: -32.455 Base-Backbone interact. energy: -0.265 local terms energy: -47.564015 where: bonds (distance) C4'-P energy: -8.104 bonds (distance) P-C4' energy: -12.068 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -99.586701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.586701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.586701 (E_RNA) where: Base-Base interactions energy: -46.331 where: short stacking energy: -34.562 Base-Backbone interact. energy: -0.271 local terms energy: -52.984466 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -6.520 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: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -75.111129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.111129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.111129 (E_RNA) where: Base-Base interactions energy: -26.016 where: short stacking energy: -25.001 Base-Backbone interact. energy: 0.027 local terms energy: -49.122358 where: bonds (distance) C4'-P energy: -10.385 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -226.618485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.618485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.618485 (E_RNA) where: Base-Base interactions energy: -145.172 where: short stacking energy: -70.405 Base-Backbone interact. energy: -1.070 local terms energy: -80.376412 where: bonds (distance) C4'-P energy: -16.268 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -16.189 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -21.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -210.525150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.525150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.525150 (E_RNA) where: Base-Base interactions energy: -131.861 where: short stacking energy: -65.879 Base-Backbone interact. energy: -0.077 local terms energy: -78.587060 where: bonds (distance) C4'-P energy: -15.531 bonds (distance) P-C4' energy: -18.133 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -12.366 tors. eta vs tors. theta energy: -17.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -165.441392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.441392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.441392 (E_RNA) where: Base-Base interactions energy: -96.426 where: short stacking energy: -53.376 Base-Backbone interact. energy: -0.077 local terms energy: -68.939226 where: bonds (distance) C4'-P energy: -15.917 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -12.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -173.479728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.479728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.479728 (E_RNA) where: Base-Base interactions energy: -108.582 where: short stacking energy: -48.540 Base-Backbone interact. energy: -0.100 local terms energy: -64.797471 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -15.413 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -156.024483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.024483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.024483 (E_RNA) where: Base-Base interactions energy: -89.537 where: short stacking energy: -54.397 Base-Backbone interact. energy: -0.101 local terms energy: -66.386416 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -16.259 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -13.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -155.574227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.574227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.574227 (E_RNA) where: Base-Base interactions energy: -95.282 where: short stacking energy: -59.455 Base-Backbone interact. energy: -0.156 local terms energy: -60.136136 where: bonds (distance) C4'-P energy: -10.475 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -6.148 tors. eta vs tors. theta energy: -12.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -154.361907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.361907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.361907 (E_RNA) where: Base-Base interactions energy: -94.937 where: short stacking energy: -50.583 Base-Backbone interact. energy: -0.085 local terms energy: -59.339131 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -11.188 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -11.007 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: 370 Temperature: 1.250000 Total energy: -81.326494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.326494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.326494 (E_RNA) where: Base-Base interactions energy: -31.924 where: short stacking energy: -29.309 Base-Backbone interact. energy: 0.409 local terms energy: -49.811196 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -1.074 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -83.362897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.362897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.362897 (E_RNA) where: Base-Base interactions energy: -37.499 where: short stacking energy: -20.500 Base-Backbone interact. energy: -0.210 local terms energy: -45.653826 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -8.269 tors. eta vs tors. theta energy: -0.622 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: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -77.474134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.474134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.474134 (E_RNA) where: Base-Base interactions energy: -28.544 where: short stacking energy: -27.150 Base-Backbone interact. energy: -0.137 local terms energy: -48.793819 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -8.891 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -228.113708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.113708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.113708 (E_RNA) where: Base-Base interactions energy: -143.869 where: short stacking energy: -73.757 Base-Backbone interact. energy: -0.441 local terms energy: -83.803811 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -17.010 flat angles P-C4'-P energy: -13.674 tors. eta vs tors. theta energy: -20.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -206.321875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.321875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.321875 (E_RNA) where: Base-Base interactions energy: -136.131 where: short stacking energy: -63.225 Base-Backbone interact. energy: -0.308 local terms energy: -69.882976 where: bonds (distance) C4'-P energy: -14.666 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -10.516 tors. eta vs tors. theta energy: -14.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -186.605471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.605471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.605471 (E_RNA) where: Base-Base interactions energy: -120.924 where: short stacking energy: -65.063 Base-Backbone interact. energy: -0.017 local terms energy: -65.665098 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -14.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -178.955268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.955268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.955268 (E_RNA) where: Base-Base interactions energy: -102.851 where: short stacking energy: -58.704 Base-Backbone interact. energy: -0.036 local terms energy: -76.068436 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -17.631 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -18.544 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: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -159.416715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.416715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.416715 (E_RNA) where: Base-Base interactions energy: -93.609 where: short stacking energy: -49.229 Base-Backbone interact. energy: -0.129 local terms energy: -65.678344 where: bonds (distance) C4'-P energy: -16.707 bonds (distance) P-C4' energy: -16.437 flat angles C4'-P-C4' energy: -16.217 flat angles P-C4'-P energy: -11.576 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -153.025018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.025018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.025018 (E_RNA) where: Base-Base interactions energy: -96.418 where: short stacking energy: -49.822 Base-Backbone interact. energy: -0.220 local terms energy: -56.387388 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -12.146 tors. eta vs tors. theta energy: -8.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -152.007547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.007547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.007547 (E_RNA) where: Base-Base interactions energy: -98.426 where: short stacking energy: -55.136 Base-Backbone interact. energy: -0.010 local terms energy: -53.571118 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -8.807 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -9.711 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: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -96.617888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.617888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.617888 (E_RNA) where: Base-Base interactions energy: -41.496 where: short stacking energy: -41.496 Base-Backbone interact. energy: -0.093 local terms energy: -55.029003 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -12.484 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -11.484 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -81.327696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.327696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.327696 (E_RNA) where: Base-Base interactions energy: -32.642 where: short stacking energy: -32.642 Base-Backbone interact. energy: 0.702 local terms energy: -49.387417 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -83.715709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.715709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.715709 (E_RNA) where: Base-Base interactions energy: -31.974 where: short stacking energy: -27.404 Base-Backbone interact. energy: 0.157 local terms energy: -51.898673 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -12.123 tors. eta vs tors. theta energy: -1.392 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: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -218.167029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.167029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.167029 (E_RNA) where: Base-Base interactions energy: -141.945 where: short stacking energy: -71.032 Base-Backbone interact. energy: -0.264 local terms energy: -75.957887 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -17.900 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -19.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -216.340835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.340835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.340835 (E_RNA) where: Base-Base interactions energy: -144.350 where: short stacking energy: -73.057 Base-Backbone interact. energy: -0.810 local terms energy: -71.181113 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -179.984274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.984274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.984274 (E_RNA) where: Base-Base interactions energy: -107.409 where: short stacking energy: -59.586 Base-Backbone interact. energy: 0.258 local terms energy: -72.833310 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -17.682 flat angles P-C4'-P energy: -13.577 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -163.868218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.868218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.868218 (E_RNA) where: Base-Base interactions energy: -95.061 where: short stacking energy: -52.959 Base-Backbone interact. energy: -0.931 local terms energy: -67.876367 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -12.630 flat angles C4'-P-C4' energy: -16.774 flat angles P-C4'-P energy: -12.606 tors. eta vs tors. theta energy: -11.301 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: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -155.138081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.138081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.138081 (E_RNA) where: Base-Base interactions energy: -97.197 where: short stacking energy: -42.031 Base-Backbone interact. energy: -0.537 local terms energy: -57.404409 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -159.988367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.988367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.988367 (E_RNA) where: Base-Base interactions energy: -96.807 where: short stacking energy: -48.624 Base-Backbone interact. energy: -0.486 local terms energy: -62.695102 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -9.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -146.889554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.889554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.889554 (E_RNA) where: Base-Base interactions energy: -88.868 where: short stacking energy: -44.623 Base-Backbone interact. energy: -0.477 local terms energy: -57.544574 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -11.672 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -82.866837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.866837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.866837 (E_RNA) where: Base-Base interactions energy: -31.727 where: short stacking energy: -30.220 Base-Backbone interact. energy: -0.007 local terms energy: -51.132684 where: bonds (distance) C4'-P energy: -16.972 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -85.256734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.256734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.256734 (E_RNA) where: Base-Base interactions energy: -32.285 where: short stacking energy: -24.285 Base-Backbone interact. energy: -0.017 local terms energy: -52.954643 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -17.212 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -74.062712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.062712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.062712 (E_RNA) where: Base-Base interactions energy: -25.714 where: short stacking energy: -16.812 Base-Backbone interact. energy: -0.731 local terms energy: -47.617388 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -0.996 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: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -224.326386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.326386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.326386 (E_RNA) where: Base-Base interactions energy: -149.007 where: short stacking energy: -67.961 Base-Backbone interact. energy: -0.240 local terms energy: -75.079120 where: bonds (distance) C4'-P energy: -15.403 bonds (distance) P-C4' energy: -14.446 flat angles C4'-P-C4' energy: -17.674 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -222.098510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.098510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.098510 (E_RNA) where: Base-Base interactions energy: -146.408 where: short stacking energy: -71.608 Base-Backbone interact. energy: 0.773 local terms energy: -76.462988 where: bonds (distance) C4'-P energy: -16.658 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -18.073 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -18.783 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: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -181.737687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.737687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.737687 (E_RNA) where: Base-Base interactions energy: -107.701 where: short stacking energy: -64.373 Base-Backbone interact. energy: -0.004 local terms energy: -74.032110 where: bonds (distance) C4'-P energy: -17.105 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -16.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -175.420290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.420290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.420290 (E_RNA) where: Base-Base interactions energy: -109.774 where: short stacking energy: -47.228 Base-Backbone interact. energy: -0.102 local terms energy: -65.544511 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -9.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -157.645717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.645717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.645717 (E_RNA) where: Base-Base interactions energy: -92.650 where: short stacking energy: -49.310 Base-Backbone interact. energy: -0.099 local terms energy: -64.896686 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -11.897 tors. eta vs tors. theta energy: -10.389 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: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -154.846892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.846892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.846892 (E_RNA) where: Base-Base interactions energy: -99.285 where: short stacking energy: -47.428 Base-Backbone interact. energy: -0.804 local terms energy: -54.757978 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -14.024 flat angles C4'-P-C4' energy: -13.330 flat angles P-C4'-P energy: -10.809 tors. eta vs tors. theta energy: -5.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -150.951425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.951425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.951425 (E_RNA) where: Base-Base interactions energy: -95.287 where: short stacking energy: -50.818 Base-Backbone interact. energy: -0.379 local terms energy: -55.286173 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -13.089 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -6.840 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: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -81.098944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.098944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.098944 (E_RNA) where: Base-Base interactions energy: -26.555 where: short stacking energy: -26.555 Base-Backbone interact. energy: -0.560 local terms energy: -53.984307 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -17.202 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -79.287081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.287081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.287081 (E_RNA) where: Base-Base interactions energy: -26.135 where: short stacking energy: -26.135 Base-Backbone interact. energy: -0.381 local terms energy: -52.771242 where: bonds (distance) C4'-P energy: -8.928 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -16.289 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -78.215089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.215089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.215089 (E_RNA) where: Base-Base interactions energy: -28.496 where: short stacking energy: -21.384 Base-Backbone interact. energy: -0.325 local terms energy: -49.393765 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: 0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -224.172913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.172913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.172913 (E_RNA) where: Base-Base interactions energy: -145.973 where: short stacking energy: -72.547 Base-Backbone interact. energy: -0.227 local terms energy: -77.972149 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -16.565 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -12.321 tors. eta vs tors. theta energy: -19.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -219.275844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.275844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.275844 (E_RNA) where: Base-Base interactions energy: -145.400 where: short stacking energy: -68.044 Base-Backbone interact. energy: -0.432 local terms energy: -73.443278 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -13.420 tors. eta vs tors. theta energy: -16.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -178.135165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.135165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.135165 (E_RNA) where: Base-Base interactions energy: -103.414 where: short stacking energy: -62.081 Base-Backbone interact. energy: -0.006 local terms energy: -74.715370 where: bonds (distance) C4'-P energy: -15.486 bonds (distance) P-C4' energy: -15.201 flat angles C4'-P-C4' energy: -15.161 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -19.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -168.535937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.535937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.535937 (E_RNA) where: Base-Base interactions energy: -107.131 where: short stacking energy: -50.232 Base-Backbone interact. energy: 0.084 local terms energy: -61.489170 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -10.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -170.715578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.715578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.715578 (E_RNA) where: Base-Base interactions energy: -107.862 where: short stacking energy: -47.097 Base-Backbone interact. energy: -0.048 local terms energy: -62.805717 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -13.737 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: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -156.634170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.634170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.634170 (E_RNA) where: Base-Base interactions energy: -94.061 where: short stacking energy: -49.151 Base-Backbone interact. energy: -0.005 local terms energy: -62.568530 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: -9.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -147.829501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.829501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.829501 (E_RNA) where: Base-Base interactions energy: -89.950 where: short stacking energy: -42.471 Base-Backbone interact. energy: -0.133 local terms energy: -57.746701 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -16.012 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -7.771 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: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -89.030511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.030511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.030511 (E_RNA) where: Base-Base interactions energy: -34.493 where: short stacking energy: -34.493 Base-Backbone interact. energy: -0.021 local terms energy: -54.517196 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -13.884 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -84.584390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.584390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.584390 (E_RNA) where: Base-Base interactions energy: -30.764 where: short stacking energy: -20.724 Base-Backbone interact. energy: 0.251 local terms energy: -54.071010 where: bonds (distance) C4'-P energy: -11.105 bonds (distance) P-C4' energy: -18.687 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -78.425460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.425460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.425460 (E_RNA) where: Base-Base interactions energy: -31.588 where: short stacking energy: -28.286 Base-Backbone interact. energy: -0.123 local terms energy: -46.713800 where: bonds (distance) C4'-P energy: -8.779 bonds (distance) P-C4' energy: -10.557 flat angles C4'-P-C4' energy: -9.632 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -8.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -228.867745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.867745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.867745 (E_RNA) where: Base-Base interactions energy: -153.127 where: short stacking energy: -68.063 Base-Backbone interact. energy: -0.473 local terms energy: -75.268021 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -17.759 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -12.785 tors. eta vs tors. theta energy: -17.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -212.255360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.255360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.255360 (E_RNA) where: Base-Base interactions energy: -138.439 where: short stacking energy: -65.234 Base-Backbone interact. energy: -0.608 local terms energy: -73.208684 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -17.697 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -10.219 tors. eta vs tors. theta energy: -19.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -160.949289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.949289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.949289 (E_RNA) where: Base-Base interactions energy: -92.187 where: short stacking energy: -54.885 Base-Backbone interact. energy: 1.272 local terms energy: -70.033609 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -17.699 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -13.023 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: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -170.585191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.585191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.585191 (E_RNA) where: Base-Base interactions energy: -105.087 where: short stacking energy: -54.232 Base-Backbone interact. energy: 0.300 local terms energy: -65.798442 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -16.066 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -7.017 tors. eta vs tors. theta energy: -12.120 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: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -159.770317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.770317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.770317 (E_RNA) where: Base-Base interactions energy: -96.020 where: short stacking energy: -44.847 Base-Backbone interact. energy: -0.151 local terms energy: -63.599792 where: bonds (distance) C4'-P energy: -17.149 bonds (distance) P-C4' energy: -9.113 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -12.452 tors. eta vs tors. theta energy: -12.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -145.316242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.316242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.316242 (E_RNA) where: Base-Base interactions energy: -86.937 where: short stacking energy: -45.024 Base-Backbone interact. energy: -0.106 local terms energy: -58.273810 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -9.818 tors. eta vs tors. theta energy: -9.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -139.438983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.438983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.438983 (E_RNA) where: Base-Base interactions energy: -92.107 where: short stacking energy: -39.418 Base-Backbone interact. energy: -0.137 local terms energy: -47.194914 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -86.239711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.239711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.239711 (E_RNA) where: Base-Base interactions energy: -29.293 where: short stacking energy: -27.953 Base-Backbone interact. energy: -0.025 local terms energy: -56.921157 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -13.935 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -1.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -90.414290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.414290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.414290 (E_RNA) where: Base-Base interactions energy: -34.379 where: short stacking energy: -34.363 Base-Backbone interact. energy: -0.052 local terms energy: -55.983161 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -9.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -75.475941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.475941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.475941 (E_RNA) where: Base-Base interactions energy: -33.951 where: short stacking energy: -23.016 Base-Backbone interact. energy: 3.268 local terms energy: -44.793371 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -11.539 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -9.200 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -227.893182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.893182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.893182 (E_RNA) where: Base-Base interactions energy: -148.845 where: short stacking energy: -73.897 Base-Backbone interact. energy: -0.525 local terms energy: -78.522639 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -17.700 flat angles C4'-P-C4' energy: -15.613 flat angles P-C4'-P energy: -11.388 tors. eta vs tors. theta energy: -19.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -191.171682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.171682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.171682 (E_RNA) where: Base-Base interactions energy: -120.370 where: short stacking energy: -71.620 Base-Backbone interact. energy: -0.165 local terms energy: -70.635883 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -18.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -181.270079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.270079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.270079 (E_RNA) where: Base-Base interactions energy: -107.787 where: short stacking energy: -64.252 Base-Backbone interact. energy: -0.105 local terms energy: -73.378284 where: bonds (distance) C4'-P energy: -15.738 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -16.623 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -15.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -163.594867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.594867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.594867 (E_RNA) where: Base-Base interactions energy: -102.539 where: short stacking energy: -63.949 Base-Backbone interact. energy: -0.138 local terms energy: -60.917642 where: bonds (distance) C4'-P energy: -8.394 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -12.339 tors. eta vs tors. theta energy: -11.560 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: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -166.889841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.889841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.889841 (E_RNA) where: Base-Base interactions energy: -96.691 where: short stacking energy: -53.786 Base-Backbone interact. energy: -0.043 local terms energy: -70.155875 where: bonds (distance) C4'-P energy: -14.605 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -12.377 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: 376 Temperature: 1.150000 Total energy: -167.417596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.417596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.417596 (E_RNA) where: Base-Base interactions energy: -104.379 where: short stacking energy: -48.111 Base-Backbone interact. energy: -0.477 local terms energy: -62.561476 where: bonds (distance) C4'-P energy: -14.711 bonds (distance) P-C4' energy: -16.733 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -11.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -144.378606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.378606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.378606 (E_RNA) where: Base-Base interactions energy: -85.975 where: short stacking energy: -46.542 Base-Backbone interact. energy: -0.264 local terms energy: -58.140125 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -17.714 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -9.835 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: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -83.792776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.792776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.792776 (E_RNA) where: Base-Base interactions energy: -34.496 where: short stacking energy: -29.930 Base-Backbone interact. energy: -1.550 local terms energy: -47.746590 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -12.426 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -1.945 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: 376 Temperature: 1.300000 Total energy: -83.469947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.469947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.469947 (E_RNA) where: Base-Base interactions energy: -33.923 where: short stacking energy: -23.826 Base-Backbone interact. energy: -0.441 local terms energy: -49.105997 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -12.212 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -3.224 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: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -99.165953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.165953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.165953 (E_RNA) where: Base-Base interactions energy: -40.231 where: short stacking energy: -40.231 Base-Backbone interact. energy: -0.181 local terms energy: -58.753599 where: bonds (distance) C4'-P energy: -14.545 bonds (distance) P-C4' energy: -9.801 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -226.738228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.738228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.738228 (E_RNA) where: Base-Base interactions energy: -150.501 where: short stacking energy: -63.796 Base-Backbone interact. energy: -0.921 local terms energy: -75.316768 where: bonds (distance) C4'-P energy: -16.370 bonds (distance) P-C4' energy: -17.228 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -18.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -191.368589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.368589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.368589 (E_RNA) where: Base-Base interactions energy: -119.776 where: short stacking energy: -75.281 Base-Backbone interact. energy: 0.308 local terms energy: -71.900459 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -7.944 tors. eta vs tors. theta energy: -19.283 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: 3, replica: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -193.837886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.837886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.837886 (E_RNA) where: Base-Base interactions energy: -120.260 where: short stacking energy: -60.914 Base-Backbone interact. energy: -0.010 local terms energy: -73.568199 where: bonds (distance) C4'-P energy: -16.661 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -17.145 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -17.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -173.204298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.204298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.204298 (E_RNA) where: Base-Base interactions energy: -97.994 where: short stacking energy: -48.508 Base-Backbone interact. energy: -0.929 local terms energy: -74.281102 where: bonds (distance) C4'-P energy: -15.639 bonds (distance) P-C4' energy: -17.921 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -156.270870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.270870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.270870 (E_RNA) where: Base-Base interactions energy: -104.154 where: short stacking energy: -38.874 Base-Backbone interact. energy: -0.096 local terms energy: -52.020333 where: bonds (distance) C4'-P energy: -14.157 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -12.707 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -150.997183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.997183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.997183 (E_RNA) where: Base-Base interactions energy: -88.860 where: short stacking energy: -50.268 Base-Backbone interact. energy: 0.678 local terms energy: -62.814786 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -11.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -159.005833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.005833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.005833 (E_RNA) where: Base-Base interactions energy: -93.128 where: short stacking energy: -53.397 Base-Backbone interact. energy: -0.101 local terms energy: -65.776433 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -17.187 flat angles P-C4'-P energy: -8.587 tors. eta vs tors. theta energy: -15.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -83.070072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.070072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.070072 (E_RNA) where: Base-Base interactions energy: -28.473 where: short stacking energy: -20.682 Base-Backbone interact. energy: 0.909 local terms energy: -55.505892 where: bonds (distance) C4'-P energy: -15.896 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -10.881 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -78.770231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.770231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.770231 (E_RNA) where: Base-Base interactions energy: -32.847 where: short stacking energy: -32.847 Base-Backbone interact. energy: -0.018 local terms energy: -45.905224 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -82.783260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.783260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.783260 (E_RNA) where: Base-Base interactions energy: -25.842 where: short stacking energy: -20.236 Base-Backbone interact. energy: -0.125 local terms energy: -56.816627 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -15.170 flat angles C4'-P-C4' energy: -16.542 flat angles P-C4'-P energy: -11.376 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -226.314720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.314720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.314720 (E_RNA) where: Base-Base interactions energy: -145.112 where: short stacking energy: -68.171 Base-Backbone interact. energy: -0.559 local terms energy: -80.644421 where: bonds (distance) C4'-P energy: -16.678 bonds (distance) P-C4' energy: -18.884 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -12.784 tors. eta vs tors. theta energy: -18.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -179.605140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.605140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.605140 (E_RNA) where: Base-Base interactions energy: -107.011 where: short stacking energy: -58.824 Base-Backbone interact. energy: -0.398 local terms energy: -72.196933 where: bonds (distance) C4'-P energy: -16.520 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -17.496 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -10.994 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: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -166.529996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.529996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.529996 (E_RNA) where: Base-Base interactions energy: -101.446 where: short stacking energy: -56.130 Base-Backbone interact. energy: -0.310 local terms energy: -64.774566 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -10.675 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: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -173.136660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.136660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.136660 (E_RNA) where: Base-Base interactions energy: -107.758 where: short stacking energy: -66.289 Base-Backbone interact. energy: -0.956 local terms energy: -64.422778 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -16.152 flat angles C4'-P-C4' energy: -12.245 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -13.081 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: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -165.831374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.831374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.831374 (E_RNA) where: Base-Base interactions energy: -102.999 where: short stacking energy: -47.429 Base-Backbone interact. energy: -0.123 local terms energy: -62.709501 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -8.961 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -148.489823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.489823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.489823 (E_RNA) where: Base-Base interactions energy: -88.604 where: short stacking energy: -43.341 Base-Backbone interact. energy: -0.110 local terms energy: -59.775503 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -8.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -161.364901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.364901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.364901 (E_RNA) where: Base-Base interactions energy: -102.318 where: short stacking energy: -44.199 Base-Backbone interact. energy: -0.308 local terms energy: -58.739444 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -14.454 flat angles P-C4'-P energy: -13.067 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -80.292880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.292880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.292880 (E_RNA) where: Base-Base interactions energy: -30.484 where: short stacking energy: -26.051 Base-Backbone interact. energy: -0.182 local terms energy: -49.626812 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -16.354 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -83.686212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.686212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.686212 (E_RNA) where: Base-Base interactions energy: -36.858 where: short stacking energy: -34.577 Base-Backbone interact. energy: -0.097 local terms energy: -46.730693 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -7.568 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -9.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -82.371589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.371589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.371589 (E_RNA) where: Base-Base interactions energy: -40.869 where: short stacking energy: -29.659 Base-Backbone interact. energy: -0.152 local terms energy: -41.350990 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -226.402077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.402077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.402077 (E_RNA) where: Base-Base interactions energy: -151.233 where: short stacking energy: -68.070 Base-Backbone interact. energy: -0.781 local terms energy: -74.388090 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -17.590 flat angles P-C4'-P energy: -12.917 tors. eta vs tors. theta energy: -14.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -191.030017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.030017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.030017 (E_RNA) where: Base-Base interactions energy: -115.008 where: short stacking energy: -70.486 Base-Backbone interact. energy: -0.086 local terms energy: -75.936391 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -18.913 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -17.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -179.952807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.952807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.952807 (E_RNA) where: Base-Base interactions energy: -104.588 where: short stacking energy: -61.512 Base-Backbone interact. energy: -0.006 local terms energy: -75.359316 where: bonds (distance) C4'-P energy: -16.715 bonds (distance) P-C4' energy: -17.052 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -158.854067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.854067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.854067 (E_RNA) where: Base-Base interactions energy: -94.292 where: short stacking energy: -55.475 Base-Backbone interact. energy: -0.018 local terms energy: -64.544901 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -15.860 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -8.118 tors. eta vs tors. theta energy: -14.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -165.717526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.717526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.717526 (E_RNA) where: Base-Base interactions energy: -98.710 where: short stacking energy: -59.714 Base-Backbone interact. energy: -0.020 local terms energy: -66.988028 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -15.940 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -7.746 tors. eta vs tors. theta energy: -16.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -153.888952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.888952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.888952 (E_RNA) where: Base-Base interactions energy: -96.394 where: short stacking energy: -62.253 Base-Backbone interact. energy: -0.072 local terms energy: -57.423239 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -15.278 flat angles C4'-P-C4' energy: -10.682 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -11.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -140.832585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.832585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.832585 (E_RNA) where: Base-Base interactions energy: -87.387 where: short stacking energy: -45.295 Base-Backbone interact. energy: -0.062 local terms energy: -53.384312 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -91.038373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.038373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.038373 (E_RNA) where: Base-Base interactions energy: -37.124 where: short stacking energy: -30.875 Base-Backbone interact. energy: -0.137 local terms energy: -53.777432 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -16.793 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -80.290452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.290452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.290452 (E_RNA) where: Base-Base interactions energy: -32.047 where: short stacking energy: -31.992 Base-Backbone interact. energy: -0.207 local terms energy: -48.037005 where: bonds (distance) C4'-P energy: -16.003 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -80.839544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.839544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.839544 (E_RNA) where: Base-Base interactions energy: -37.206 where: short stacking energy: -31.498 Base-Backbone interact. energy: -0.051 local terms energy: -43.583176 where: bonds (distance) C4'-P energy: -10.811 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -2.501 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -226.179060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.179060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.179060 (E_RNA) where: Base-Base interactions energy: -150.623 where: short stacking energy: -79.116 Base-Backbone interact. energy: -0.469 local terms energy: -75.087025 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -20.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -193.278041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.278041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.278041 (E_RNA) where: Base-Base interactions energy: -115.926 where: short stacking energy: -70.874 Base-Backbone interact. energy: 0.308 local terms energy: -77.660531 where: bonds (distance) C4'-P energy: -16.482 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -12.338 tors. eta vs tors. theta energy: -19.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -175.144562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.144562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.144562 (E_RNA) where: Base-Base interactions energy: -105.541 where: short stacking energy: -63.064 Base-Backbone interact. energy: -0.038 local terms energy: -69.566073 where: bonds (distance) C4'-P energy: -15.824 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -17.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -174.428159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.428159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.428159 (E_RNA) where: Base-Base interactions energy: -101.245 where: short stacking energy: -54.745 Base-Backbone interact. energy: -0.505 local terms energy: -72.678378 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -17.277 flat angles C4'-P-C4' energy: -15.831 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -16.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -161.918263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.918263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.918263 (E_RNA) where: Base-Base interactions energy: -95.802 where: short stacking energy: -59.503 Base-Backbone interact. energy: 1.224 local terms energy: -67.340165 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -17.917 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -13.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -155.171610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.171610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.171610 (E_RNA) where: Base-Base interactions energy: -94.188 where: short stacking energy: -46.132 Base-Backbone interact. energy: -0.076 local terms energy: -60.907651 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -9.470 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: 380 Temperature: 1.200000 Total energy: -145.522640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.522640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.522640 (E_RNA) where: Base-Base interactions energy: -87.319 where: short stacking energy: -46.595 Base-Backbone interact. energy: -0.097 local terms energy: -58.106354 where: bonds (distance) C4'-P energy: -8.918 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -10.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -86.757557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.757557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.757557 (E_RNA) where: Base-Base interactions energy: -40.744 where: short stacking energy: -29.587 Base-Backbone interact. energy: -1.244 local terms energy: -44.769916 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -8.223 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -90.917070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.917070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.917070 (E_RNA) where: Base-Base interactions energy: -38.630 where: short stacking energy: -28.727 Base-Backbone interact. energy: 1.669 local terms energy: -53.955572 where: bonds (distance) C4'-P energy: -10.174 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -10.070 flat angles P-C4'-P energy: -11.510 tors. eta vs tors. theta energy: -7.363 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: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -84.637512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.637512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.637512 (E_RNA) where: Base-Base interactions energy: -36.720 where: short stacking energy: -29.845 Base-Backbone interact. energy: -0.200 local terms energy: -47.718291 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -16.064 flat angles C4'-P-C4' energy: -9.687 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -227.114893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.114893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.114893 (E_RNA) where: Base-Base interactions energy: -148.059 where: short stacking energy: -72.614 Base-Backbone interact. energy: -0.248 local terms energy: -78.807799 where: bonds (distance) C4'-P energy: -15.318 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -18.196 flat angles P-C4'-P energy: -11.401 tors. eta vs tors. theta energy: -20.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -184.996591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.996591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.996591 (E_RNA) where: Base-Base interactions energy: -107.382 where: short stacking energy: -66.812 Base-Backbone interact. energy: -0.057 local terms energy: -77.558374 where: bonds (distance) C4'-P energy: -15.134 bonds (distance) P-C4' energy: -14.239 flat angles C4'-P-C4' energy: -16.790 flat angles P-C4'-P energy: -13.255 tors. eta vs tors. theta energy: -18.140 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: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -166.550242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.550242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.550242 (E_RNA) where: Base-Base interactions energy: -101.689 where: short stacking energy: -58.938 Base-Backbone interact. energy: -0.107 local terms energy: -64.754287 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -17.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -179.144975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.144975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.144975 (E_RNA) where: Base-Base interactions energy: -108.010 where: short stacking energy: -63.438 Base-Backbone interact. energy: -0.051 local terms energy: -71.084110 where: bonds (distance) C4'-P energy: -9.230 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -18.046 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: 381 Temperature: 1.100000 Total energy: -157.687152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.687152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.687152 (E_RNA) where: Base-Base interactions energy: -97.913 where: short stacking energy: -56.673 Base-Backbone interact. energy: -0.042 local terms energy: -59.731817 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -12.571 tors. eta vs tors. theta energy: -7.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -153.834595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.834595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.834595 (E_RNA) where: Base-Base interactions energy: -93.942 where: short stacking energy: -49.952 Base-Backbone interact. energy: -0.042 local terms energy: -59.850804 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -9.984 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -151.583182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.583182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.583182 (E_RNA) where: Base-Base interactions energy: -94.334 where: short stacking energy: -49.412 Base-Backbone interact. energy: -0.188 local terms energy: -57.061512 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -8.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -84.259131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.259131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.259131 (E_RNA) where: Base-Base interactions energy: -37.891 where: short stacking energy: -24.219 Base-Backbone interact. energy: 0.669 local terms energy: -47.037637 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -0.290 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: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -83.049247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.049247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.049247 (E_RNA) where: Base-Base interactions energy: -49.688 where: short stacking energy: -22.255 Base-Backbone interact. energy: -0.190 local terms energy: -33.172093 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: 0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -83.263983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.263983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.263983 (E_RNA) where: Base-Base interactions energy: -36.274 where: short stacking energy: -35.915 Base-Backbone interact. energy: -0.077 local terms energy: -46.912953 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -9.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -226.106850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.106850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.106850 (E_RNA) where: Base-Base interactions energy: -152.574 where: short stacking energy: -72.671 Base-Backbone interact. energy: -0.358 local terms energy: -73.174109 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -15.631 flat angles P-C4'-P energy: -11.950 tors. eta vs tors. theta energy: -20.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -180.249023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.249023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.249023 (E_RNA) where: Base-Base interactions energy: -109.074 where: short stacking energy: -67.203 Base-Backbone interact. energy: -0.018 local terms energy: -71.157309 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -180.194575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.194575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.194575 (E_RNA) where: Base-Base interactions energy: -117.291 where: short stacking energy: -55.622 Base-Backbone interact. energy: -0.104 local terms energy: -62.799446 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -17.249 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -11.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -166.924452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.924452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.924452 (E_RNA) where: Base-Base interactions energy: -106.407 where: short stacking energy: -47.107 Base-Backbone interact. energy: -0.346 local terms energy: -60.171123 where: bonds (distance) C4'-P energy: -15.299 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -10.519 flat angles P-C4'-P energy: -11.327 tors. eta vs tors. theta energy: -11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -157.960010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.960010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.960010 (E_RNA) where: Base-Base interactions energy: -92.686 where: short stacking energy: -45.199 Base-Backbone interact. energy: -0.120 local terms energy: -65.153889 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -14.790 flat angles P-C4'-P energy: -13.540 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -147.277189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.277189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.277189 (E_RNA) where: Base-Base interactions energy: -88.757 where: short stacking energy: -46.003 Base-Backbone interact. energy: -0.174 local terms energy: -58.346137 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -9.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -152.094695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.094695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.094695 (E_RNA) where: Base-Base interactions energy: -96.360 where: short stacking energy: -42.945 Base-Backbone interact. energy: -0.375 local terms energy: -55.359692 where: bonds (distance) C4'-P energy: -11.083 bonds (distance) P-C4' energy: -13.813 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -9.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -83.606736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.606736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.606736 (E_RNA) where: Base-Base interactions energy: -24.315 where: short stacking energy: -23.563 Base-Backbone interact. energy: 0.740 local terms energy: -60.031724 where: bonds (distance) C4'-P energy: -16.901 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -74.821829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.821829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.821829 (E_RNA) where: Base-Base interactions energy: -29.443 where: short stacking energy: -24.177 Base-Backbone interact. energy: -0.649 local terms energy: -44.730690 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -13.090 flat angles C4'-P-C4' energy: -14.754 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: 4.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -81.391971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.391971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.391971 (E_RNA) where: Base-Base interactions energy: -39.048 where: short stacking energy: -29.950 Base-Backbone interact. energy: -0.135 local terms energy: -42.209050 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -223.555622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.555622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.555622 (E_RNA) where: Base-Base interactions energy: -146.786 where: short stacking energy: -68.708 Base-Backbone interact. energy: -0.490 local terms energy: -76.279730 where: bonds (distance) C4'-P energy: -15.113 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -16.311 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -20.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -174.292950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.292950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.292950 (E_RNA) where: Base-Base interactions energy: -102.291 where: short stacking energy: -61.324 Base-Backbone interact. energy: -0.066 local terms energy: -71.935923 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -13.531 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: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -184.424905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.424905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.424905 (E_RNA) where: Base-Base interactions energy: -108.862 where: short stacking energy: -55.209 Base-Backbone interact. energy: -0.012 local terms energy: -75.551133 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -17.470 flat angles C4'-P-C4' energy: -17.998 flat angles P-C4'-P energy: -12.930 tors. eta vs tors. theta energy: -13.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -167.022745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.022745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.022745 (E_RNA) where: Base-Base interactions energy: -96.324 where: short stacking energy: -55.067 Base-Backbone interact. energy: -0.001 local terms energy: -70.698141 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -17.754 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -14.808 tors. eta vs tors. theta energy: -14.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -152.832973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.832973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.832973 (E_RNA) where: Base-Base interactions energy: -98.255 where: short stacking energy: -51.696 Base-Backbone interact. energy: -0.127 local terms energy: -54.451459 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -9.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -163.604912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.604912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.604912 (E_RNA) where: Base-Base interactions energy: -93.657 where: short stacking energy: -49.693 Base-Backbone interact. energy: -0.028 local terms energy: -69.920010 where: bonds (distance) C4'-P energy: -17.203 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -15.932 flat angles P-C4'-P energy: -10.248 tors. eta vs tors. theta energy: -11.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -141.907941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.907941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.907941 (E_RNA) where: Base-Base interactions energy: -81.856 where: short stacking energy: -35.190 Base-Backbone interact. energy: -0.178 local terms energy: -59.873732 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -17.925 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -8.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -86.027988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.027988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.027988 (E_RNA) where: Base-Base interactions energy: -26.433 where: short stacking energy: -26.038 Base-Backbone interact. energy: -0.098 local terms energy: -59.496500 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -7.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -79.653761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.653761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.653761 (E_RNA) where: Base-Base interactions energy: -28.677 where: short stacking energy: -28.677 Base-Backbone interact. energy: -0.174 local terms energy: -50.802440 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -88.082854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.082854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.082854 (E_RNA) where: Base-Base interactions energy: -35.440 where: short stacking energy: -35.440 Base-Backbone interact. energy: -0.019 local terms energy: -52.623840 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -227.625279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.625279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.625279 (E_RNA) where: Base-Base interactions energy: -149.407 where: short stacking energy: -74.158 Base-Backbone interact. energy: -0.398 local terms energy: -77.820736 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -17.655 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -20.032 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: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -180.200467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.200467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.200467 (E_RNA) where: Base-Base interactions energy: -107.310 where: short stacking energy: -59.234 Base-Backbone interact. energy: -0.005 local terms energy: -72.885058 where: bonds (distance) C4'-P energy: -15.435 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -15.167 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -18.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -167.196930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.196930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.196930 (E_RNA) where: Base-Base interactions energy: -100.723 where: short stacking energy: -55.098 Base-Backbone interact. energy: 0.044 local terms energy: -66.518030 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -16.433 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -10.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -163.729638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.729638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.729638 (E_RNA) where: Base-Base interactions energy: -97.031 where: short stacking energy: -53.496 Base-Backbone interact. energy: 0.249 local terms energy: -66.947793 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -16.926 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -15.578 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: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -165.453939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.453939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.453939 (E_RNA) where: Base-Base interactions energy: -103.440 where: short stacking energy: -51.796 Base-Backbone interact. energy: -0.057 local terms energy: -61.956876 where: bonds (distance) C4'-P energy: -15.067 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: -13.488 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: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -161.434394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.434394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.434394 (E_RNA) where: Base-Base interactions energy: -97.158 where: short stacking energy: -55.655 Base-Backbone interact. energy: -0.017 local terms energy: -64.258985 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -15.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -152.109555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.109555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.109555 (E_RNA) where: Base-Base interactions energy: -95.386 where: short stacking energy: -42.196 Base-Backbone interact. energy: -0.097 local terms energy: -56.626251 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -16.774 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -8.749 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: 8, replica: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -91.991895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.991895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.991895 (E_RNA) where: Base-Base interactions energy: -41.309 where: short stacking energy: -25.647 Base-Backbone interact. energy: -0.262 local terms energy: -50.420844 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -82.960529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.960529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.960529 (E_RNA) where: Base-Base interactions energy: -28.874 where: short stacking energy: -23.896 Base-Backbone interact. energy: 0.001 local terms energy: -54.087829 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -12.734 tors. eta vs tors. theta energy: 0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -101.027830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.027830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.027830 (E_RNA) where: Base-Base interactions energy: -51.718 where: short stacking energy: -30.859 Base-Backbone interact. energy: -0.880 local terms energy: -48.429956 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -2.683 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: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -223.715056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.715056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.715056 (E_RNA) where: Base-Base interactions energy: -143.153 where: short stacking energy: -67.116 Base-Backbone interact. energy: -0.352 local terms energy: -80.209561 where: bonds (distance) C4'-P energy: -18.428 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -13.793 tors. eta vs tors. theta energy: -18.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -180.787038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.787038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.787038 (E_RNA) where: Base-Base interactions energy: -104.785 where: short stacking energy: -58.481 Base-Backbone interact. energy: -0.095 local terms energy: -75.906531 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -17.807 flat angles P-C4'-P energy: -9.377 tors. eta vs tors. theta energy: -17.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -177.283978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.283978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.283978 (E_RNA) where: Base-Base interactions energy: -110.295 where: short stacking energy: -57.658 Base-Backbone interact. energy: 0.489 local terms energy: -67.478321 where: bonds (distance) C4'-P energy: -15.564 bonds (distance) P-C4' energy: -15.382 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -12.832 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: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -173.797709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.797709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.797709 (E_RNA) where: Base-Base interactions energy: -104.131 where: short stacking energy: -60.717 Base-Backbone interact. energy: 0.881 local terms energy: -70.548168 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -17.360 flat angles P-C4'-P energy: -11.183 tors. eta vs tors. theta energy: -18.209 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: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -168.039006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.039006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.039006 (E_RNA) where: Base-Base interactions energy: -106.349 where: short stacking energy: -58.347 Base-Backbone interact. energy: -0.153 local terms energy: -61.537269 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -11.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -153.550917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.550917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.550917 (E_RNA) where: Base-Base interactions energy: -91.044 where: short stacking energy: -46.561 Base-Backbone interact. energy: -0.047 local terms energy: -62.459691 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -15.338 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -10.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -140.510808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.510808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.510808 (E_RNA) where: Base-Base interactions energy: -84.290 where: short stacking energy: -34.120 Base-Backbone interact. energy: -0.087 local terms energy: -56.133833 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -8.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -79.831201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.831201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.831201 (E_RNA) where: Base-Base interactions energy: -32.025 where: short stacking energy: -32.025 Base-Backbone interact. energy: -0.378 local terms energy: -47.428545 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -15.798 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -92.776899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.776899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.776899 (E_RNA) where: Base-Base interactions energy: -37.378 where: short stacking energy: -36.306 Base-Backbone interact. energy: -0.009 local terms energy: -55.389176 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -16.503 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -7.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -70.550616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.550616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.550616 (E_RNA) where: Base-Base interactions energy: -20.435 where: short stacking energy: -20.067 Base-Backbone interact. energy: 0.573 local terms energy: -50.689094 where: bonds (distance) C4'-P energy: -13.048 bonds (distance) P-C4' energy: -11.749 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -223.247637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.247637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.247637 (E_RNA) where: Base-Base interactions energy: -147.656 where: short stacking energy: -67.947 Base-Backbone interact. energy: -0.514 local terms energy: -75.077814 where: bonds (distance) C4'-P energy: -16.865 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -10.229 flat angles P-C4'-P energy: -15.065 tors. eta vs tors. theta energy: -17.375 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: 386 Temperature: 0.950000 Total energy: -168.925850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.925850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.925850 (E_RNA) where: Base-Base interactions energy: -101.955 where: short stacking energy: -53.280 Base-Backbone interact. energy: 0.181 local terms energy: -67.152664 where: bonds (distance) C4'-P energy: -15.940 bonds (distance) P-C4' energy: -13.207 flat angles C4'-P-C4' energy: -16.684 flat angles P-C4'-P energy: -9.171 tors. eta vs tors. theta energy: -12.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -176.397194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.397194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.397194 (E_RNA) where: Base-Base interactions energy: -106.535 where: short stacking energy: -59.187 Base-Backbone interact. energy: -0.050 local terms energy: -69.811987 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -15.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -174.241683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.241683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.241683 (E_RNA) where: Base-Base interactions energy: -110.806 where: short stacking energy: -61.715 Base-Backbone interact. energy: -0.377 local terms energy: -63.058932 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -12.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -161.985987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.985987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.985987 (E_RNA) where: Base-Base interactions energy: -96.942 where: short stacking energy: -48.340 Base-Backbone interact. energy: -0.364 local terms energy: -64.680649 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -15.940 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -10.173 tors. eta vs tors. theta energy: -8.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -150.094897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.094897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.094897 (E_RNA) where: Base-Base interactions energy: -87.274 where: short stacking energy: -48.296 Base-Backbone interact. energy: -0.090 local terms energy: -62.730731 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -16.381 flat angles P-C4'-P energy: -10.538 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -98.979224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.979224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.979224 (E_RNA) where: Base-Base interactions energy: -43.379 where: short stacking energy: -36.139 Base-Backbone interact. energy: -0.147 local terms energy: -55.453423 where: bonds (distance) C4'-P energy: -13.051 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -10.834 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: -3.740 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: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -88.412151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.412151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.412151 (E_RNA) where: Base-Base interactions energy: -34.547 where: short stacking energy: -34.547 Base-Backbone interact. energy: -0.103 local terms energy: -53.761391 where: bonds (distance) C4'-P energy: -10.769 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -11.310 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -88.860165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.860165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.860165 (E_RNA) where: Base-Base interactions energy: -32.816 where: short stacking energy: -25.446 Base-Backbone interact. energy: -0.472 local terms energy: -55.572973 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -6.828 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: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -87.678809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.678809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.678809 (E_RNA) where: Base-Base interactions energy: -35.209 where: short stacking energy: -30.500 Base-Backbone interact. energy: -0.131 local terms energy: -52.338800 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -15.885 flat angles C4'-P-C4' energy: -9.589 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -1.756 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: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -235.642774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.642774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.642774 (E_RNA) where: Base-Base interactions energy: -151.718 where: short stacking energy: -77.190 Base-Backbone interact. energy: -0.464 local terms energy: -83.460010 where: bonds (distance) C4'-P energy: -15.994 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -16.638 flat angles P-C4'-P energy: -12.963 tors. eta vs tors. theta energy: -21.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -182.937977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.937977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.937977 (E_RNA) where: Base-Base interactions energy: -114.052 where: short stacking energy: -59.621 Base-Backbone interact. energy: -0.071 local terms energy: -68.815327 where: bonds (distance) C4'-P energy: -14.999 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -12.108 tors. eta vs tors. theta energy: -11.566 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: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -175.105005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.105005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.105005 (E_RNA) where: Base-Base interactions energy: -105.230 where: short stacking energy: -58.151 Base-Backbone interact. energy: -0.107 local terms energy: -69.767341 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -17.629 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -10.139 tors. eta vs tors. theta energy: -14.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -175.912340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.912340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.912340 (E_RNA) where: Base-Base interactions energy: -104.408 where: short stacking energy: -64.699 Base-Backbone interact. energy: -0.052 local terms energy: -71.451574 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -15.339 flat angles C4'-P-C4' energy: -17.098 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -17.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -175.526076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.526076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.526076 (E_RNA) where: Base-Base interactions energy: -107.929 where: short stacking energy: -62.678 Base-Backbone interact. energy: -0.029 local terms energy: -67.568673 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -16.459 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -164.039177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.039177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.039177 (E_RNA) where: Base-Base interactions energy: -103.375 where: short stacking energy: -53.190 Base-Backbone interact. energy: 0.028 local terms energy: -60.691899 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -9.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -95.687266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.687266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.687266 (E_RNA) where: Base-Base interactions energy: -45.827 where: short stacking energy: -26.088 Base-Backbone interact. energy: 0.628 local terms energy: -50.487882 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -11.770 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -128.651076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.651076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.651076 (E_RNA) where: Base-Base interactions energy: -80.923 where: short stacking energy: -42.370 Base-Backbone interact. energy: -0.131 local terms energy: -47.596974 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -10.691 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -136.595077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.595077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.595077 (E_RNA) where: Base-Base interactions energy: -77.744 where: short stacking energy: -39.071 Base-Backbone interact. energy: -0.147 local terms energy: -58.704117 where: bonds (distance) C4'-P energy: -8.684 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -11.697 tors. eta vs tors. theta energy: -7.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -77.091802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.091802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.091802 (E_RNA) where: Base-Base interactions energy: -30.860 where: short stacking energy: -30.086 Base-Backbone interact. energy: 0.823 local terms energy: -47.054291 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: 4.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -231.402856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.402856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.402856 (E_RNA) where: Base-Base interactions energy: -149.913 where: short stacking energy: -74.764 Base-Backbone interact. energy: -0.485 local terms energy: -81.004782 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -18.914 flat angles P-C4'-P energy: -12.169 tors. eta vs tors. theta energy: -22.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -173.143799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.143799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.143799 (E_RNA) where: Base-Base interactions energy: -103.162 where: short stacking energy: -53.917 Base-Backbone interact. energy: 1.494 local terms energy: -71.476271 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -16.721 flat angles C4'-P-C4' energy: -17.923 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -10.578 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: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -177.134603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.134603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.134603 (E_RNA) where: Base-Base interactions energy: -103.879 where: short stacking energy: -67.252 Base-Backbone interact. energy: -0.069 local terms energy: -73.187089 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -17.571 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -15.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -175.309600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.309600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.309600 (E_RNA) where: Base-Base interactions energy: -105.923 where: short stacking energy: -64.673 Base-Backbone interact. energy: 0.948 local terms energy: -70.334596 where: bonds (distance) C4'-P energy: -16.558 bonds (distance) P-C4' energy: -15.158 flat angles C4'-P-C4' energy: -14.150 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -17.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -171.723229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.723229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.723229 (E_RNA) where: Base-Base interactions energy: -103.079 where: short stacking energy: -59.705 Base-Backbone interact. energy: -0.288 local terms energy: -68.356292 where: bonds (distance) C4'-P energy: -16.528 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -12.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -164.799722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.799722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.799722 (E_RNA) where: Base-Base interactions energy: -106.571 where: short stacking energy: -51.747 Base-Backbone interact. energy: -0.011 local terms energy: -58.218564 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -9.011 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: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -152.005197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.005197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.005197 (E_RNA) where: Base-Base interactions energy: -93.433 where: short stacking energy: -43.365 Base-Backbone interact. energy: -0.824 local terms energy: -57.748265 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -14.056 flat angles C4'-P-C4' energy: -11.673 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -10.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -89.869263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.869263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.869263 (E_RNA) where: Base-Base interactions energy: -34.011 where: short stacking energy: -34.130 Base-Backbone interact. energy: -0.124 local terms energy: -55.733989 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -5.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -134.152420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.152420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.152420 (E_RNA) where: Base-Base interactions energy: -76.619 where: short stacking energy: -39.861 Base-Backbone interact. energy: -0.139 local terms energy: -57.394027 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -8.704 tors. eta vs tors. theta energy: -8.193 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: 388 Temperature: 1.350000 Total energy: -74.265374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.265374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.265374 (E_RNA) where: Base-Base interactions energy: -29.581 where: short stacking energy: -18.363 Base-Backbone interact. energy: -0.333 local terms energy: -44.351467 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: 0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -225.788061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.788061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.788061 (E_RNA) where: Base-Base interactions energy: -149.019 where: short stacking energy: -66.756 Base-Backbone interact. energy: -0.635 local terms energy: -76.134390 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -16.999 flat angles P-C4'-P energy: -10.089 tors. eta vs tors. theta energy: -17.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -179.548766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.548766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.548766 (E_RNA) where: Base-Base interactions energy: -108.973 where: short stacking energy: -66.502 Base-Backbone interact. energy: -0.174 local terms energy: -70.402141 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -16.822 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -19.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -180.817395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.817395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.817395 (E_RNA) where: Base-Base interactions energy: -111.416 where: short stacking energy: -70.435 Base-Backbone interact. energy: -0.000 local terms energy: -69.401344 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -17.297 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -20.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -164.392158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.392158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.392158 (E_RNA) where: Base-Base interactions energy: -100.361 where: short stacking energy: -43.910 Base-Backbone interact. energy: -0.185 local terms energy: -63.846020 where: bonds (distance) C4'-P energy: -15.075 bonds (distance) P-C4' energy: -16.921 flat angles C4'-P-C4' energy: -17.582 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -154.814105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.814105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.814105 (E_RNA) where: Base-Base interactions energy: -101.174 where: short stacking energy: -50.456 Base-Backbone interact. energy: -0.131 local terms energy: -53.509078 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -7.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -164.652172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.652172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.652172 (E_RNA) where: Base-Base interactions energy: -103.892 where: short stacking energy: -57.723 Base-Backbone interact. energy: -0.230 local terms energy: -60.530394 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -10.129 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -14.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -159.980325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.980325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.980325 (E_RNA) where: Base-Base interactions energy: -109.230 where: short stacking energy: -56.395 Base-Backbone interact. energy: 0.513 local terms energy: -51.263735 where: bonds (distance) C4'-P energy: -7.930 bonds (distance) P-C4' energy: -11.449 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -10.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -147.432564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.432564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.432564 (E_RNA) where: Base-Base interactions energy: -88.532 where: short stacking energy: -39.699 Base-Backbone interact. energy: -0.063 local terms energy: -58.837505 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -12.187 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -80.061599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.061599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.061599 (E_RNA) where: Base-Base interactions energy: -32.314 where: short stacking energy: -25.411 Base-Backbone interact. energy: -0.096 local terms energy: -47.651445 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -11.096 flat angles C4'-P-C4' energy: -17.676 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: 1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -82.673343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.673343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.673343 (E_RNA) where: Base-Base interactions energy: -31.443 where: short stacking energy: -28.068 Base-Backbone interact. energy: -0.273 local terms energy: -50.957479 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -7.967 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -217.193543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.193543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.193543 (E_RNA) where: Base-Base interactions energy: -146.755 where: short stacking energy: -74.958 Base-Backbone interact. energy: -0.301 local terms energy: -70.137798 where: bonds (distance) C4'-P energy: -15.842 bonds (distance) P-C4' energy: -14.731 flat angles C4'-P-C4' energy: -11.757 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -182.892607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.892607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.892607 (E_RNA) where: Base-Base interactions energy: -108.372 where: short stacking energy: -56.355 Base-Backbone interact. energy: -1.011 local terms energy: -73.509636 where: bonds (distance) C4'-P energy: -16.053 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -13.117 flat angles P-C4'-P energy: -12.020 tors. eta vs tors. theta energy: -15.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -186.215075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.215075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.215075 (E_RNA) where: Base-Base interactions energy: -113.088 where: short stacking energy: -64.409 Base-Backbone interact. energy: 1.137 local terms energy: -74.264034 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -16.196 flat angles P-C4'-P energy: -12.483 tors. eta vs tors. theta energy: -18.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -170.736663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.736663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.736663 (E_RNA) where: Base-Base interactions energy: -99.768 where: short stacking energy: -52.809 Base-Backbone interact. energy: -0.067 local terms energy: -70.901587 where: bonds (distance) C4'-P energy: -15.920 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -13.251 tors. eta vs tors. theta energy: -13.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -156.088890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.088890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.088890 (E_RNA) where: Base-Base interactions energy: -98.030 where: short stacking energy: -47.157 Base-Backbone interact. energy: -0.221 local terms energy: -57.837397 where: bonds (distance) C4'-P energy: -16.242 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -171.498921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.498921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.498921 (E_RNA) where: Base-Base interactions energy: -106.007 where: short stacking energy: -56.672 Base-Backbone interact. energy: -0.079 local terms energy: -65.413327 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -145.881134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.881134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.881134 (E_RNA) where: Base-Base interactions energy: -96.424 where: short stacking energy: -50.118 Base-Backbone interact. energy: -0.137 local terms energy: -49.320829 where: bonds (distance) C4'-P energy: -4.030 bonds (distance) P-C4' energy: -13.192 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -8.777 tors. eta vs tors. theta energy: -10.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -147.802261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.802261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.802261 (E_RNA) where: Base-Base interactions energy: -94.528 where: short stacking energy: -49.305 Base-Backbone interact. energy: -0.113 local terms energy: -53.160853 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -8.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -82.685447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.685447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.685447 (E_RNA) where: Base-Base interactions energy: -25.313 where: short stacking energy: -22.013 Base-Backbone interact. energy: -0.188 local terms energy: -57.184998 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -15.424 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -88.877579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.877579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.877579 (E_RNA) where: Base-Base interactions energy: -37.152 where: short stacking energy: -34.994 Base-Backbone interact. energy: -0.979 local terms energy: -50.746462 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -12.146 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -227.860808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.860808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.860808 (E_RNA) where: Base-Base interactions energy: -153.115 where: short stacking energy: -71.726 Base-Backbone interact. energy: -0.419 local terms energy: -74.326994 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -12.351 flat angles C4'-P-C4' energy: -16.477 flat angles P-C4'-P energy: -12.515 tors. eta vs tors. theta energy: -17.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -184.195126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.195126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.195126 (E_RNA) where: Base-Base interactions energy: -107.347 where: short stacking energy: -64.783 Base-Backbone interact. energy: -0.132 local terms energy: -76.716891 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -15.682 flat angles P-C4'-P energy: -13.333 tors. eta vs tors. theta energy: -17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -174.344981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.344981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.344981 (E_RNA) where: Base-Base interactions energy: -107.699 where: short stacking energy: -57.996 Base-Backbone interact. energy: -0.228 local terms energy: -66.417586 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -12.231 tors. eta vs tors. theta energy: -12.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -170.689492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.689492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.689492 (E_RNA) where: Base-Base interactions energy: -104.252 where: short stacking energy: -61.073 Base-Backbone interact. energy: 0.200 local terms energy: -66.638059 where: bonds (distance) C4'-P energy: -16.276 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -14.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -167.849227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.849227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.849227 (E_RNA) where: Base-Base interactions energy: -97.104 where: short stacking energy: -56.722 Base-Backbone interact. energy: -0.045 local terms energy: -70.699990 where: bonds (distance) C4'-P energy: -13.847 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -12.542 tors. eta vs tors. theta energy: -17.093 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: 6, replica: 10 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -160.631319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.631319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.631319 (E_RNA) where: Base-Base interactions energy: -92.510 where: short stacking energy: -45.226 Base-Backbone interact. energy: -1.315 local terms energy: -66.805708 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -12.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -152.359613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.359613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.359613 (E_RNA) where: Base-Base interactions energy: -91.058 where: short stacking energy: -49.067 Base-Backbone interact. energy: -0.082 local terms energy: -61.220016 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -10.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -155.714837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.714837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.714837 (E_RNA) where: Base-Base interactions energy: -89.059 where: short stacking energy: -48.146 Base-Backbone interact. energy: -0.181 local terms energy: -66.475033 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -15.925 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -10.300 tors. eta vs tors. theta energy: -10.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -93.534596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.534596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.534596 (E_RNA) where: Base-Base interactions energy: -39.620 where: short stacking energy: -30.566 Base-Backbone interact. energy: -0.070 local terms energy: -53.844683 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -16.671 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -5.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -84.379772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.379772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.379772 (E_RNA) where: Base-Base interactions energy: -29.494 where: short stacking energy: -29.494 Base-Backbone interact. energy: -0.736 local terms energy: -54.150096 where: bonds (distance) C4'-P energy: -18.217 bonds (distance) P-C4' energy: -13.946 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -226.011117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.011117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.011117 (E_RNA) where: Base-Base interactions energy: -148.129 where: short stacking energy: -68.472 Base-Backbone interact. energy: -0.636 local terms energy: -77.245990 where: bonds (distance) C4'-P energy: -15.316 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -11.743 tors. eta vs tors. theta energy: -20.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -187.048242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.048242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.048242 (E_RNA) where: Base-Base interactions energy: -120.888 where: short stacking energy: -55.638 Base-Backbone interact. energy: 0.015 local terms energy: -66.175067 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -12.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -170.927966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.927966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.927966 (E_RNA) where: Base-Base interactions energy: -108.330 where: short stacking energy: -58.066 Base-Backbone interact. energy: -0.134 local terms energy: -62.464046 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -13.090 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -9.532 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: 4, replica: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -166.371544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.371544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.371544 (E_RNA) where: Base-Base interactions energy: -93.918 where: short stacking energy: -57.411 Base-Backbone interact. energy: -0.000 local terms energy: -72.453118 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -15.250 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -10.961 tors. eta vs tors. theta energy: -17.430 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: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -161.398806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.398806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.398806 (E_RNA) where: Base-Base interactions energy: -100.016 where: short stacking energy: -39.305 Base-Backbone interact. energy: -0.926 local terms energy: -60.456839 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -15.345 flat angles P-C4'-P energy: -12.838 tors. eta vs tors. theta energy: -7.968 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: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -160.850710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.850710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.850710 (E_RNA) where: Base-Base interactions energy: -95.409 where: short stacking energy: -50.041 Base-Backbone interact. energy: -1.446 local terms energy: -63.995049 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -15.789 flat angles C4'-P-C4' energy: -8.553 flat angles P-C4'-P energy: -13.907 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -146.408876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.408876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.408876 (E_RNA) where: Base-Base interactions energy: -85.325 where: short stacking energy: -49.546 Base-Backbone interact. energy: -0.125 local terms energy: -60.958531 where: bonds (distance) C4'-P energy: -14.355 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -14.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -130.690111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.690111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.690111 (E_RNA) where: Base-Base interactions energy: -81.622 where: short stacking energy: -39.075 Base-Backbone interact. energy: -0.547 local terms energy: -48.521911 where: bonds (distance) C4'-P energy: -7.607 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -3.215 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: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -80.801161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.801161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.801161 (E_RNA) where: Base-Base interactions energy: -34.460 where: short stacking energy: -34.115 Base-Backbone interact. energy: 2.786 local terms energy: -49.127091 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -11.318 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -69.959384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.959384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.959384 (E_RNA) where: Base-Base interactions energy: -19.095 where: short stacking energy: -19.095 Base-Backbone interact. energy: 0.009 local terms energy: -50.873345 where: bonds (distance) C4'-P energy: -11.949 bonds (distance) P-C4' energy: -10.382 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -11.159 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -224.912014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.912014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.912014 (E_RNA) where: Base-Base interactions energy: -142.235 where: short stacking energy: -68.322 Base-Backbone interact. energy: -0.409 local terms energy: -82.267948 where: bonds (distance) C4'-P energy: -17.203 bonds (distance) P-C4' energy: -16.601 flat angles C4'-P-C4' energy: -16.891 flat angles P-C4'-P energy: -12.151 tors. eta vs tors. theta energy: -19.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -186.341501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.341501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.341501 (E_RNA) where: Base-Base interactions energy: -110.988 where: short stacking energy: -70.724 Base-Backbone interact. energy: -0.014 local terms energy: -75.339876 where: bonds (distance) C4'-P energy: -16.922 bonds (distance) P-C4' energy: -14.795 flat angles C4'-P-C4' energy: -14.740 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -18.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -173.097242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.097242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.097242 (E_RNA) where: Base-Base interactions energy: -105.568 where: short stacking energy: -52.659 Base-Backbone interact. energy: -0.862 local terms energy: -66.667853 where: bonds (distance) C4'-P energy: -15.112 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -16.167 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -10.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -166.148162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.148162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.148162 (E_RNA) where: Base-Base interactions energy: -102.461 where: short stacking energy: -53.597 Base-Backbone interact. energy: -0.153 local terms energy: -63.534552 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -161.668236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.668236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.668236 (E_RNA) where: Base-Base interactions energy: -94.095 where: short stacking energy: -49.463 Base-Backbone interact. energy: -0.314 local terms energy: -67.259449 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -14.968 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -10.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -168.977434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.977434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.977434 (E_RNA) where: Base-Base interactions energy: -101.883 where: short stacking energy: -57.072 Base-Backbone interact. energy: -0.058 local terms energy: -67.036174 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -13.543 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -16.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -151.046032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.046032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.046032 (E_RNA) where: Base-Base interactions energy: -94.983 where: short stacking energy: -44.156 Base-Backbone interact. energy: -0.131 local terms energy: -55.932370 where: bonds (distance) C4'-P energy: -9.321 bonds (distance) P-C4' energy: -16.471 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -9.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -141.038817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.038817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.038817 (E_RNA) where: Base-Base interactions energy: -80.980 where: short stacking energy: -37.048 Base-Backbone interact. energy: -0.219 local terms energy: -59.840211 where: bonds (distance) C4'-P energy: -14.327 bonds (distance) P-C4' energy: -16.451 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -88.281307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.281307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.281307 (E_RNA) where: Base-Base interactions energy: -30.785 where: short stacking energy: -28.986 Base-Backbone interact. energy: -0.191 local terms energy: -57.305314 where: bonds (distance) C4'-P energy: -15.855 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -9.947 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: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -82.007690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.007690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.007690 (E_RNA) where: Base-Base interactions energy: -30.764 where: short stacking energy: -30.278 Base-Backbone interact. energy: -0.085 local terms energy: -51.158275 where: bonds (distance) C4'-P energy: -9.107 bonds (distance) P-C4' energy: -16.942 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -9.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -232.566778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.566778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.566778 (E_RNA) where: Base-Base interactions energy: -151.151 where: short stacking energy: -74.314 Base-Backbone interact. energy: -0.372 local terms energy: -81.043352 where: bonds (distance) C4'-P energy: -18.218 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -13.024 tors. eta vs tors. theta energy: -20.201 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: 394 Temperature: 0.950000 Total energy: -192.343909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.343909 (E_RNA) where: Base-Base interactions energy: -114.402 where: short stacking energy: -70.934 Base-Backbone interact. energy: -0.007 local terms energy: -77.934655 where: bonds (distance) C4'-P energy: -14.181 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -16.241 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: -22.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -159.149848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.149848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.149848 (E_RNA) where: Base-Base interactions energy: -90.984 where: short stacking energy: -45.270 Base-Backbone interact. energy: -0.307 local terms energy: -67.858682 where: bonds (distance) C4'-P energy: -15.812 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -16.440 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -10.488 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: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -165.906851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.906851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.906851 (E_RNA) where: Base-Base interactions energy: -99.002 where: short stacking energy: -55.825 Base-Backbone interact. energy: 0.073 local terms energy: -66.977213 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -12.808 flat angles C4'-P-C4' energy: -10.935 flat angles P-C4'-P energy: -12.335 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -159.314085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.314085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.314085 (E_RNA) where: Base-Base interactions energy: -92.214 where: short stacking energy: -49.751 Base-Backbone interact. energy: -0.004 local terms energy: -67.096555 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -12.219 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: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -167.506902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.506902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.506902 (E_RNA) where: Base-Base interactions energy: -98.662 where: short stacking energy: -44.308 Base-Backbone interact. energy: -0.833 local terms energy: -68.011968 where: bonds (distance) C4'-P energy: -17.291 bonds (distance) P-C4' energy: -16.958 flat angles C4'-P-C4' energy: -16.676 flat angles P-C4'-P energy: -9.274 tors. eta vs tors. theta energy: -7.814 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: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -153.272877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.272877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.272877 (E_RNA) where: Base-Base interactions energy: -84.795 where: short stacking energy: -42.055 Base-Backbone interact. energy: -0.025 local terms energy: -68.452963 where: bonds (distance) C4'-P energy: -15.551 bonds (distance) P-C4' energy: -15.766 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -13.801 tors. eta vs tors. theta energy: -10.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -139.481890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.481890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.481890 (E_RNA) where: Base-Base interactions energy: -86.107 where: short stacking energy: -36.645 Base-Backbone interact. energy: -0.063 local terms energy: -53.311569 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -10.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -90.849774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.849774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.849774 (E_RNA) where: Base-Base interactions energy: -36.856 where: short stacking energy: -34.506 Base-Backbone interact. energy: -0.123 local terms energy: -53.870510 where: bonds (distance) C4'-P energy: -9.814 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -10.981 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -130.330314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.330314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.330314 (E_RNA) where: Base-Base interactions energy: -82.302 where: short stacking energy: -42.469 Base-Backbone interact. energy: -0.849 local terms energy: -47.179603 where: bonds (distance) C4'-P energy: -14.319 bonds (distance) P-C4' energy: -12.893 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: 0.112 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -213.857742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.857742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.857742 (E_RNA) where: Base-Base interactions energy: -135.744 where: short stacking energy: -64.910 Base-Backbone interact. energy: -0.167 local terms energy: -77.947114 where: bonds (distance) C4'-P energy: -17.051 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -16.626 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -18.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -187.341043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.341043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.341043 (E_RNA) where: Base-Base interactions energy: -112.437 where: short stacking energy: -68.717 Base-Backbone interact. energy: -0.021 local terms energy: -74.882789 where: bonds (distance) C4'-P energy: -15.780 bonds (distance) P-C4' energy: -13.788 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -11.297 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -166.410154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.410154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.410154 (E_RNA) where: Base-Base interactions energy: -103.691 where: short stacking energy: -56.113 Base-Backbone interact. energy: -0.117 local terms energy: -62.601338 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -155.891578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.891578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.891578 (E_RNA) where: Base-Base interactions energy: -94.158 where: short stacking energy: -49.349 Base-Backbone interact. energy: 0.349 local terms energy: -62.082394 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -161.858526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.858526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.858526 (E_RNA) where: Base-Base interactions energy: -98.714 where: short stacking energy: -50.170 Base-Backbone interact. energy: -0.056 local terms energy: -63.088318 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -15.361 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -10.544 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: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -168.697298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.697298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.697298 (E_RNA) where: Base-Base interactions energy: -108.464 where: short stacking energy: -44.762 Base-Backbone interact. energy: -0.079 local terms energy: -60.153911 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -17.628 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -145.236807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.236807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.236807 (E_RNA) where: Base-Base interactions energy: -94.520 where: short stacking energy: -37.524 Base-Backbone interact. energy: -0.079 local terms energy: -50.637344 where: bonds (distance) C4'-P energy: -9.358 bonds (distance) P-C4' energy: -14.870 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -161.976897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.976897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.976897 (E_RNA) where: Base-Base interactions energy: -104.674 where: short stacking energy: -48.895 Base-Backbone interact. energy: -0.106 local terms energy: -57.196867 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -13.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -83.653813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.653813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.653813 (E_RNA) where: Base-Base interactions energy: -31.763 where: short stacking energy: -27.061 Base-Backbone interact. energy: -0.141 local terms energy: -51.749872 where: bonds (distance) C4'-P energy: -10.720 bonds (distance) P-C4' energy: -18.923 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -136.370929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.370929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.370929 (E_RNA) where: Base-Base interactions energy: -87.261 where: short stacking energy: -39.948 Base-Backbone interact. energy: -1.114 local terms energy: -47.996568 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -9.271 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -199.981530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.981530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.981530 (E_RNA) where: Base-Base interactions energy: -116.342 where: short stacking energy: -74.947 Base-Backbone interact. energy: -0.051 local terms energy: -83.588526 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -16.258 flat angles P-C4'-P energy: -14.392 tors. eta vs tors. theta energy: -21.834 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: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -212.782700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.782700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.782700 (E_RNA) where: Base-Base interactions energy: -140.915 where: short stacking energy: -64.347 Base-Backbone interact. energy: -0.347 local terms energy: -71.520683 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -15.454 flat angles C4'-P-C4' energy: -18.303 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -13.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -163.846776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.846776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.846776 (E_RNA) where: Base-Base interactions energy: -96.294 where: short stacking energy: -50.019 Base-Backbone interact. energy: -0.378 local terms energy: -67.174768 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -163.724120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.724120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.724120 (E_RNA) where: Base-Base interactions energy: -101.760 where: short stacking energy: -59.691 Base-Backbone interact. energy: -0.088 local terms energy: -61.876064 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -14.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -169.586567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.586567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.586567 (E_RNA) where: Base-Base interactions energy: -100.400 where: short stacking energy: -55.669 Base-Backbone interact. energy: -0.030 local terms energy: -69.156911 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -161.202726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.202726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.202726 (E_RNA) where: Base-Base interactions energy: -100.276 where: short stacking energy: -39.643 Base-Backbone interact. energy: -0.287 local terms energy: -60.640280 where: bonds (distance) C4'-P energy: -17.559 bonds (distance) P-C4' energy: -14.203 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -146.578178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.578178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.578178 (E_RNA) where: Base-Base interactions energy: -88.099 where: short stacking energy: -40.056 Base-Backbone interact. energy: -0.614 local terms energy: -57.865592 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -10.916 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: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -145.251869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.251869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.251869 (E_RNA) where: Base-Base interactions energy: -85.864 where: short stacking energy: -48.346 Base-Backbone interact. energy: 0.244 local terms energy: -59.631819 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -15.906 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -13.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -84.984530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.984530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.984530 (E_RNA) where: Base-Base interactions energy: -45.705 where: short stacking energy: -25.410 Base-Backbone interact. energy: -0.272 local terms energy: -39.007613 where: bonds (distance) C4'-P energy: -4.086 bonds (distance) P-C4' energy: -9.065 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -74.966082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.966082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.966082 (E_RNA) where: Base-Base interactions energy: -26.665 where: short stacking energy: -21.113 Base-Backbone interact. energy: -0.206 local terms energy: -48.095748 where: bonds (distance) C4'-P energy: -15.697 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: 3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -183.275355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.275355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.275355 (E_RNA) where: Base-Base interactions energy: -112.240 where: short stacking energy: -70.995 Base-Backbone interact. energy: -0.126 local terms energy: -70.909236 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -18.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -215.641364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.641364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.641364 (E_RNA) where: Base-Base interactions energy: -143.001 where: short stacking energy: -71.012 Base-Backbone interact. energy: -0.370 local terms energy: -72.270641 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -15.606 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -16.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -178.315039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.315039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.315039 (E_RNA) where: Base-Base interactions energy: -102.854 where: short stacking energy: -60.970 Base-Backbone interact. energy: -0.583 local terms energy: -74.878092 where: bonds (distance) C4'-P energy: -15.826 bonds (distance) P-C4' energy: -16.760 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -12.933 tors. eta vs tors. theta energy: -14.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -162.620537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.620537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.620537 (E_RNA) where: Base-Base interactions energy: -96.079 where: short stacking energy: -52.596 Base-Backbone interact. energy: -0.167 local terms energy: -66.374761 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.475 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -12.056 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: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -167.451707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.451707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.451707 (E_RNA) where: Base-Base interactions energy: -100.024 where: short stacking energy: -58.972 Base-Backbone interact. energy: -0.041 local terms energy: -67.386229 where: bonds (distance) C4'-P energy: -15.552 bonds (distance) P-C4' energy: -17.147 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -13.266 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: 397 Temperature: 1.150000 Total energy: -153.215178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.215178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.215178 (E_RNA) where: Base-Base interactions energy: -94.380 where: short stacking energy: -49.107 Base-Backbone interact. energy: -0.087 local terms energy: -58.747978 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -13.652 flat angles C4'-P-C4' energy: -13.591 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -9.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -156.129034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.129034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.129034 (E_RNA) where: Base-Base interactions energy: -92.043 where: short stacking energy: -48.648 Base-Backbone interact. energy: -0.004 local terms energy: -64.081683 where: bonds (distance) C4'-P energy: -10.944 bonds (distance) P-C4' energy: -16.402 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -151.466180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.466180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.466180 (E_RNA) where: Base-Base interactions energy: -89.718 where: short stacking energy: -44.654 Base-Backbone interact. energy: -0.185 local terms energy: -61.563409 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -89.962696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.962696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.962696 (E_RNA) where: Base-Base interactions energy: -43.151 where: short stacking energy: -30.751 Base-Backbone interact. energy: -0.036 local terms energy: -46.774813 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -17.203 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: 0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -78.894598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.894598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.894598 (E_RNA) where: Base-Base interactions energy: -31.291 where: short stacking energy: -21.027 Base-Backbone interact. energy: -0.161 local terms energy: -47.442795 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -1.609 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: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -220.084267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.084267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.084267 (E_RNA) where: Base-Base interactions energy: -145.897 where: short stacking energy: -69.918 Base-Backbone interact. energy: -0.132 local terms energy: -74.055215 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -18.898 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -17.356 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: 398 Temperature: 0.950000 Total energy: -183.309011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.309011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.309011 (E_RNA) where: Base-Base interactions energy: -108.790 where: short stacking energy: -63.168 Base-Backbone interact. energy: -0.152 local terms energy: -74.366976 where: bonds (distance) C4'-P energy: -18.453 bonds (distance) P-C4' energy: -17.509 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -15.225 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: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -174.474420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.474420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.474420 (E_RNA) where: Base-Base interactions energy: -107.847 where: short stacking energy: -61.905 Base-Backbone interact. energy: -0.001 local terms energy: -66.625930 where: bonds (distance) C4'-P energy: -14.911 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -16.545 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -14.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -164.838899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.838899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.838899 (E_RNA) where: Base-Base interactions energy: -106.055 where: short stacking energy: -52.729 Base-Backbone interact. energy: -0.090 local terms energy: -58.693943 where: bonds (distance) C4'-P energy: -15.348 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -8.774 flat angles P-C4'-P energy: -10.522 tors. eta vs tors. theta energy: -10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -165.959044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.959044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.959044 (E_RNA) where: Base-Base interactions energy: -101.800 where: short stacking energy: -49.998 Base-Backbone interact. energy: -0.216 local terms energy: -63.943185 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -15.421 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -13.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -156.800558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.800558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.800558 (E_RNA) where: Base-Base interactions energy: -94.041 where: short stacking energy: -48.298 Base-Backbone interact. energy: -0.047 local terms energy: -62.712722 where: bonds (distance) C4'-P energy: -11.312 bonds (distance) P-C4' energy: -16.917 flat angles C4'-P-C4' energy: -15.460 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -8.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -161.244898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.244898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.244898 (E_RNA) where: Base-Base interactions energy: -94.531 where: short stacking energy: -49.734 Base-Backbone interact. energy: 0.126 local terms energy: -66.839506 where: bonds (distance) C4'-P energy: -16.122 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -17.457 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -14.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -145.365364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.365364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.365364 (E_RNA) where: Base-Base interactions energy: -85.823 where: short stacking energy: -43.551 Base-Backbone interact. energy: -0.404 local terms energy: -59.138132 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -15.329 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -8.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -81.674217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.674217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.674217 (E_RNA) where: Base-Base interactions energy: -32.565 where: short stacking energy: -25.940 Base-Backbone interact. energy: 0.880 local terms energy: -49.989779 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -92.534444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.534444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.534444 (E_RNA) where: Base-Base interactions energy: -40.416 where: short stacking energy: -30.884 Base-Backbone interact. energy: -0.262 local terms energy: -51.856080 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -10.646 flat angles C4'-P-C4' energy: -13.790 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -208.214174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.214174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.214174 (E_RNA) where: Base-Base interactions energy: -134.540 where: short stacking energy: -58.621 Base-Backbone interact. energy: -0.117 local terms energy: -73.556891 where: bonds (distance) C4'-P energy: -16.090 bonds (distance) P-C4' energy: -17.393 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -11.862 tors. eta vs tors. theta energy: -13.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -174.734411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.734411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.734411 (E_RNA) where: Base-Base interactions energy: -106.779 where: short stacking energy: -60.600 Base-Backbone interact. energy: -0.566 local terms energy: -67.388956 where: bonds (distance) C4'-P energy: -15.242 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -171.078924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.078924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.078924 (E_RNA) where: Base-Base interactions energy: -108.263 where: short stacking energy: -59.491 Base-Backbone interact. energy: -0.027 local terms energy: -62.788320 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -15.921 flat angles C4'-P-C4' energy: -11.091 flat angles P-C4'-P energy: -13.266 tors. eta vs tors. theta energy: -10.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -175.115303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.115303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.115303 (E_RNA) where: Base-Base interactions energy: -114.364 where: short stacking energy: -53.646 Base-Backbone interact. energy: -0.107 local terms energy: -60.644896 where: bonds (distance) C4'-P energy: -13.271 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -167.409777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.409777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.409777 (E_RNA) where: Base-Base interactions energy: -94.798 where: short stacking energy: -55.247 Base-Backbone interact. energy: -0.048 local terms energy: -72.564270 where: bonds (distance) C4'-P energy: -8.481 bonds (distance) P-C4' energy: -17.601 flat angles C4'-P-C4' energy: -16.663 flat angles P-C4'-P energy: -12.131 tors. eta vs tors. theta energy: -17.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -156.503327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.503327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.503327 (E_RNA) where: Base-Base interactions energy: -93.031 where: short stacking energy: -46.207 Base-Backbone interact. energy: -0.124 local terms energy: -63.348912 where: bonds (distance) C4'-P energy: -15.270 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -15.648 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -11.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -154.679311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.679311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.679311 (E_RNA) where: Base-Base interactions energy: -96.767 where: short stacking energy: -51.424 Base-Backbone interact. energy: -0.013 local terms energy: -57.898939 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -12.656 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: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -89.261861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.261861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.261861 (E_RNA) where: Base-Base interactions energy: -35.451 where: short stacking energy: -35.451 Base-Backbone interact. energy: -0.012 local terms energy: -53.799120 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -15.850 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -143.594360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.594360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.594360 (E_RNA) where: Base-Base interactions energy: -89.886 where: short stacking energy: -46.437 Base-Backbone interact. energy: -0.529 local terms energy: -53.179352 where: bonds (distance) C4'-P energy: -7.337 bonds (distance) P-C4' energy: -12.950 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -12.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -74.994617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.994617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.994617 (E_RNA) where: Base-Base interactions energy: -28.067 where: short stacking energy: -28.067 Base-Backbone interact. energy: 2.263 local terms energy: -49.190696 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -208.618709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.618709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.618709 (E_RNA) where: Base-Base interactions energy: -143.470 where: short stacking energy: -62.760 Base-Backbone interact. energy: -0.370 local terms energy: -64.778489 where: bonds (distance) C4'-P energy: -14.454 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -13.668 tors. eta vs tors. theta energy: -10.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -183.410597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.410597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.410597 (E_RNA) where: Base-Base interactions energy: -107.245 where: short stacking energy: -66.510 Base-Backbone interact. energy: 0.146 local terms energy: -76.311269 where: bonds (distance) C4'-P energy: -17.886 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -19.472 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: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -169.297592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.297592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.297592 (E_RNA) where: Base-Base interactions energy: -108.286 where: short stacking energy: -53.835 Base-Backbone interact. energy: -0.199 local terms energy: -60.811772 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -15.959 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -11.648 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: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -164.404152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.404152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.404152 (E_RNA) where: Base-Base interactions energy: -101.536 where: short stacking energy: -55.644 Base-Backbone interact. energy: -0.058 local terms energy: -62.810695 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -12.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -168.224730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.224730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.224730 (E_RNA) where: Base-Base interactions energy: -105.069 where: short stacking energy: -57.159 Base-Backbone interact. energy: -0.301 local terms energy: -62.854785 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -13.946 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -11.484 tors. eta vs tors. theta energy: -11.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -149.602624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.602624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.602624 (E_RNA) where: Base-Base interactions energy: -85.635 where: short stacking energy: -44.450 Base-Backbone interact. energy: -0.068 local terms energy: -63.899845 where: bonds (distance) C4'-P energy: -15.381 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -16.638 flat angles P-C4'-P energy: -9.918 tors. eta vs tors. theta energy: -12.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -153.163034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.163034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.163034 (E_RNA) where: Base-Base interactions energy: -92.234 where: short stacking energy: -44.411 Base-Backbone interact. energy: -0.625 local terms energy: -60.304718 where: bonds (distance) C4'-P energy: -16.458 bonds (distance) P-C4' energy: -15.567 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -84.375049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.375049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.375049 (E_RNA) where: Base-Base interactions energy: -40.138 where: short stacking energy: -40.138 Base-Backbone interact. energy: -0.241 local terms energy: -43.995935 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -11.174 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -4.148 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: 400 Temperature: 1.300000 Total energy: -86.504792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.504792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.504792 (E_RNA) where: Base-Base interactions energy: -41.667 where: short stacking energy: -24.284 Base-Backbone interact. energy: -0.040 local terms energy: -44.797928 where: bonds (distance) C4'-P energy: -15.051 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -143.144289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.144289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.144289 (E_RNA) where: Base-Base interactions energy: -84.809 where: short stacking energy: -41.977 Base-Backbone interact. energy: -0.008 local terms energy: -58.327494 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -17.023 flat angles C4'-P-C4' energy: -9.749 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -11.614 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: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -210.538982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.538982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.538982 (E_RNA) where: Base-Base interactions energy: -142.826 where: short stacking energy: -64.328 Base-Backbone interact. energy: -0.613 local terms energy: -67.100530 where: bonds (distance) C4'-P energy: -14.367 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -11.809 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -14.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -163.771362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.771362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.771362 (E_RNA) where: Base-Base interactions energy: -97.199 where: short stacking energy: -54.285 Base-Backbone interact. energy: -0.254 local terms energy: -66.318071 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -170.447733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.447733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.447733 (E_RNA) where: Base-Base interactions energy: -100.797 where: short stacking energy: -57.670 Base-Backbone interact. energy: 0.659 local terms energy: -70.310001 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -12.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -174.283601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.283601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.283601 (E_RNA) where: Base-Base interactions energy: -111.761 where: short stacking energy: -65.579 Base-Backbone interact. energy: -0.023 local terms energy: -62.500376 where: bonds (distance) C4'-P energy: -15.514 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -7.977 tors. eta vs tors. theta energy: -15.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -158.302447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.302447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.302447 (E_RNA) where: Base-Base interactions energy: -94.514 where: short stacking energy: -49.532 Base-Backbone interact. energy: -0.848 local terms energy: -62.940264 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -16.765 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -12.771 tors. eta vs tors. theta energy: -10.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -162.271187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.271187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.271187 (E_RNA) where: Base-Base interactions energy: -103.660 where: short stacking energy: -61.314 Base-Backbone interact. energy: 1.593 local terms energy: -60.204351 where: bonds (distance) C4'-P energy: -9.139 bonds (distance) P-C4' energy: -13.002 flat angles C4'-P-C4' energy: -15.526 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -15.479 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: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -151.672863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.672863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.672863 (E_RNA) where: Base-Base interactions energy: -96.046 where: short stacking energy: -47.059 Base-Backbone interact. energy: -0.065 local terms energy: -55.561841 where: bonds (distance) C4'-P energy: -14.588 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -16.331 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -8.501 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: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -95.256610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.256610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.256610 (E_RNA) where: Base-Base interactions energy: -62.223 where: short stacking energy: -37.525 Base-Backbone interact. energy: -0.131 local terms energy: -32.902767 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -9.629 flat angles C4'-P-C4' energy: -10.792 flat angles P-C4'-P energy: -2.309 tors. eta vs tors. theta energy: 2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -95.896472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.896472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.896472 (E_RNA) where: Base-Base interactions energy: -45.326 where: short stacking energy: -28.021 Base-Backbone interact. energy: -0.066 local terms energy: -50.503967 where: bonds (distance) C4'-P energy: -9.846 bonds (distance) P-C4' energy: -14.065 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -3.666 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: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -135.077519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.077519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.077519 (E_RNA) where: Base-Base interactions energy: -83.253 where: short stacking energy: -37.992 Base-Backbone interact. energy: -0.537 local terms energy: -51.287307 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -208.480185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.480185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.480185 (E_RNA) where: Base-Base interactions energy: -145.515 where: short stacking energy: -59.993 Base-Backbone interact. energy: -0.634 local terms energy: -62.331270 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -11.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -178.342084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.342084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.342084 (E_RNA) where: Base-Base interactions energy: -106.762 where: short stacking energy: -61.745 Base-Backbone interact. energy: -0.211 local terms energy: -71.368673 where: bonds (distance) C4'-P energy: -15.150 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -14.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -186.160402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.160402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.160402 (E_RNA) where: Base-Base interactions energy: -108.964 where: short stacking energy: -68.495 Base-Backbone interact. energy: -0.363 local terms energy: -76.833308 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -17.290 flat angles P-C4'-P energy: -13.669 tors. eta vs tors. theta energy: -17.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -170.422877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.422877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.422877 (E_RNA) where: Base-Base interactions energy: -99.825 where: short stacking energy: -53.225 Base-Backbone interact. energy: 0.635 local terms energy: -71.233518 where: bonds (distance) C4'-P energy: -16.055 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -13.327 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -168.829611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.829611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.829611 (E_RNA) where: Base-Base interactions energy: -99.347 where: short stacking energy: -59.196 Base-Backbone interact. energy: -0.027 local terms energy: -69.456219 where: bonds (distance) C4'-P energy: -15.506 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -163.650968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.650968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.650968 (E_RNA) where: Base-Base interactions energy: -98.032 where: short stacking energy: -53.802 Base-Backbone interact. energy: -0.462 local terms energy: -65.156548 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -11.216 tors. eta vs tors. theta energy: -12.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -151.553320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.553320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.553320 (E_RNA) where: Base-Base interactions energy: -104.085 where: short stacking energy: -52.497 Base-Backbone interact. energy: -0.224 local terms energy: -47.244306 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -5.775 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: 402 Temperature: 1.250000 Total energy: -84.311763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.311763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.311763 (E_RNA) where: Base-Base interactions energy: -38.131 where: short stacking energy: -35.443 Base-Backbone interact. energy: -0.028 local terms energy: -46.152258 where: bonds (distance) C4'-P energy: -6.643 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -6.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -137.342233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.342233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.342233 (E_RNA) where: Base-Base interactions energy: -82.663 where: short stacking energy: -46.632 Base-Backbone interact. energy: -0.139 local terms energy: -54.539927 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -15.303 flat angles C4'-P-C4' energy: -9.108 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -11.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -70.824917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.824917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.824917 (E_RNA) where: Base-Base interactions energy: -23.286 where: short stacking energy: -17.165 Base-Backbone interact. energy: -0.232 local terms energy: -47.306516 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -16.444 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: 0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -218.915485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.915485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.915485 (E_RNA) where: Base-Base interactions energy: -145.265 where: short stacking energy: -65.715 Base-Backbone interact. energy: -0.884 local terms energy: -72.766864 where: bonds (distance) C4'-P energy: -15.382 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -16.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -185.991525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.991525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.991525 (E_RNA) where: Base-Base interactions energy: -117.121 where: short stacking energy: -67.857 Base-Backbone interact. energy: -0.769 local terms energy: -68.101312 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -14.316 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -16.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -177.569641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.569641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.569641 (E_RNA) where: Base-Base interactions energy: -106.735 where: short stacking energy: -66.317 Base-Backbone interact. energy: -0.024 local terms energy: -70.811144 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -14.609 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -17.655 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: 403 Temperature: 1.050000 Total energy: -164.771853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.771853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.771853 (E_RNA) where: Base-Base interactions energy: -96.393 where: short stacking energy: -58.898 Base-Backbone interact. energy: -0.362 local terms energy: -68.016954 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -17.126 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -172.145773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.145773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.145773 (E_RNA) where: Base-Base interactions energy: -102.712 where: short stacking energy: -62.237 Base-Backbone interact. energy: -0.062 local terms energy: -69.372610 where: bonds (distance) C4'-P energy: -16.268 bonds (distance) P-C4' energy: -12.062 flat angles C4'-P-C4' energy: -15.192 flat angles P-C4'-P energy: -12.586 tors. eta vs tors. theta energy: -13.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -152.505537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.505537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.505537 (E_RNA) where: Base-Base interactions energy: -86.638 where: short stacking energy: -46.372 Base-Backbone interact. energy: -0.037 local terms energy: -65.830554 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -14.859 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -12.347 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -166.074087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.074087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.074087 (E_RNA) where: Base-Base interactions energy: -101.300 where: short stacking energy: -59.529 Base-Backbone interact. energy: -0.034 local terms energy: -64.740532 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -17.303 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -14.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -152.694593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.694593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.694593 (E_RNA) where: Base-Base interactions energy: -93.195 where: short stacking energy: -47.558 Base-Backbone interact. energy: -0.109 local terms energy: -59.390904 where: bonds (distance) C4'-P energy: -15.816 bonds (distance) P-C4' energy: -12.840 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -10.991 tors. eta vs tors. theta energy: -9.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -80.742777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.742777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.742777 (E_RNA) where: Base-Base interactions energy: -34.405 where: short stacking energy: -32.404 Base-Backbone interact. energy: -0.067 local terms energy: -46.271040 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -74.635415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.635415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.635415 (E_RNA) where: Base-Base interactions energy: -25.395 where: short stacking energy: -25.395 Base-Backbone interact. energy: -0.416 local terms energy: -48.823846 where: bonds (distance) C4'-P energy: -16.446 bonds (distance) P-C4' energy: -17.118 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: 1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -224.506591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.506591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.506591 (E_RNA) where: Base-Base interactions energy: -150.548 where: short stacking energy: -70.615 Base-Backbone interact. energy: 0.258 local terms energy: -74.217258 where: bonds (distance) C4'-P energy: -15.192 bonds (distance) P-C4' energy: -16.949 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -205.117346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.117346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.117346 (E_RNA) where: Base-Base interactions energy: -128.382 where: short stacking energy: -62.582 Base-Backbone interact. energy: 0.142 local terms energy: -76.877524 where: bonds (distance) C4'-P energy: -16.901 bonds (distance) P-C4' energy: -16.169 flat angles C4'-P-C4' energy: -15.706 flat angles P-C4'-P energy: -13.170 tors. eta vs tors. theta energy: -14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -176.097153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.097153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.097153 (E_RNA) where: Base-Base interactions energy: -100.399 where: short stacking energy: -58.607 Base-Backbone interact. energy: -0.528 local terms energy: -75.170046 where: bonds (distance) C4'-P energy: -12.397 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -16.554 flat angles P-C4'-P energy: -13.338 tors. eta vs tors. theta energy: -15.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -167.449625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.449625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.449625 (E_RNA) where: Base-Base interactions energy: -104.882 where: short stacking energy: -58.603 Base-Backbone interact. energy: -0.295 local terms energy: -62.273360 where: bonds (distance) C4'-P energy: -15.808 bonds (distance) P-C4' energy: -11.977 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -11.333 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: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -153.428047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.428047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.428047 (E_RNA) where: Base-Base interactions energy: -90.284 where: short stacking energy: -46.861 Base-Backbone interact. energy: -0.090 local terms energy: -63.054295 where: bonds (distance) C4'-P energy: -15.159 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -9.074 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: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -158.303669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.303669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.303669 (E_RNA) where: Base-Base interactions energy: -94.111 where: short stacking energy: -56.730 Base-Backbone interact. energy: -1.265 local terms energy: -62.927817 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -16.664 flat angles C4'-P-C4' energy: -11.672 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -13.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -151.670002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.670002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.670002 (E_RNA) where: Base-Base interactions energy: -90.482 where: short stacking energy: -49.429 Base-Backbone interact. energy: -0.097 local terms energy: -61.090766 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -11.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -153.179115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.179115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.179115 (E_RNA) where: Base-Base interactions energy: -93.840 where: short stacking energy: -39.507 Base-Backbone interact. energy: 0.312 local terms energy: -59.651035 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -16.279 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -8.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -80.867092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.867092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.867092 (E_RNA) where: Base-Base interactions energy: -30.895 where: short stacking energy: -30.895 Base-Backbone interact. energy: 0.090 local terms energy: -50.061979 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -2.125 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: 404 Temperature: 1.350000 Total energy: -93.866377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.866377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.866377 (E_RNA) where: Base-Base interactions energy: -39.578 where: short stacking energy: -33.229 Base-Backbone interact. energy: -0.057 local terms energy: -54.231543 where: bonds (distance) C4'-P energy: -10.963 bonds (distance) P-C4' energy: -15.409 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -216.818253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.818253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.818253 (E_RNA) where: Base-Base interactions energy: -144.876 where: short stacking energy: -68.596 Base-Backbone interact. energy: -0.359 local terms energy: -71.582597 where: bonds (distance) C4'-P energy: -15.283 bonds (distance) P-C4' energy: -14.913 flat angles C4'-P-C4' energy: -15.766 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -16.946 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: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -201.605372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.605372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.605372 (E_RNA) where: Base-Base interactions energy: -130.163 where: short stacking energy: -72.986 Base-Backbone interact. energy: -0.102 local terms energy: -71.340825 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -16.044 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -12.385 tors. eta vs tors. theta energy: -16.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -180.264458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.264458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.264458 (E_RNA) where: Base-Base interactions energy: -104.289 where: short stacking energy: -50.234 Base-Backbone interact. energy: -1.114 local terms energy: -74.861815 where: bonds (distance) C4'-P energy: -15.709 bonds (distance) P-C4' energy: -18.183 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -14.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -175.488330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.488330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.488330 (E_RNA) where: Base-Base interactions energy: -106.863 where: short stacking energy: -64.261 Base-Backbone interact. energy: -0.018 local terms energy: -68.607145 where: bonds (distance) C4'-P energy: -7.586 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -11.019 tors. eta vs tors. theta energy: -17.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -162.008529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.008529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.008529 (E_RNA) where: Base-Base interactions energy: -101.018 where: short stacking energy: -53.149 Base-Backbone interact. energy: -0.125 local terms energy: -60.865271 where: bonds (distance) C4'-P energy: -11.611 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -12.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -161.853960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.853960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.853960 (E_RNA) where: Base-Base interactions energy: -94.149 where: short stacking energy: -50.144 Base-Backbone interact. energy: -0.011 local terms energy: -67.693770 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -14.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -156.864256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.864256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.864256 (E_RNA) where: Base-Base interactions energy: -102.633 where: short stacking energy: -52.601 Base-Backbone interact. energy: -0.060 local terms energy: -54.170882 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -10.517 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -13.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -141.485483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.485483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.485483 (E_RNA) where: Base-Base interactions energy: -88.217 where: short stacking energy: -44.699 Base-Backbone interact. energy: -0.225 local terms energy: -53.043390 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -10.105 flat angles P-C4'-P energy: -6.337 tors. eta vs tors. theta energy: -6.704 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: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -82.002835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.002835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.002835 (E_RNA) where: Base-Base interactions energy: -28.717 where: short stacking energy: -27.322 Base-Backbone interact. energy: -0.362 local terms energy: -52.923834 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -16.170 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -12.743 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -84.827509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.827509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.827509 (E_RNA) where: Base-Base interactions energy: -44.196 where: short stacking energy: -42.190 Base-Backbone interact. energy: -0.053 local terms energy: -40.578709 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -9.731 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -214.377772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.377772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.377772 (E_RNA) where: Base-Base interactions energy: -142.911 where: short stacking energy: -59.657 Base-Backbone interact. energy: -0.055 local terms energy: -71.411565 where: bonds (distance) C4'-P energy: -12.136 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -19.515 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: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -223.285206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.285206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.285206 (E_RNA) where: Base-Base interactions energy: -145.910 where: short stacking energy: -71.113 Base-Backbone interact. energy: -0.525 local terms energy: -76.850387 where: bonds (distance) C4'-P energy: -13.743 bonds (distance) P-C4' energy: -14.447 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -20.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -177.989916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.989916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.989916 (E_RNA) where: Base-Base interactions energy: -110.717 where: short stacking energy: -50.625 Base-Backbone interact. energy: -0.126 local terms energy: -67.147071 where: bonds (distance) C4'-P energy: -17.079 bonds (distance) P-C4' energy: -13.636 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -11.131 tors. eta vs tors. theta energy: -13.042 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: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -159.611767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.611767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.611767 (E_RNA) where: Base-Base interactions energy: -92.582 where: short stacking energy: -49.290 Base-Backbone interact. energy: -0.653 local terms energy: -66.376584 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -15.644 flat angles C4'-P-C4' energy: -15.410 flat angles P-C4'-P energy: -11.809 tors. eta vs tors. theta energy: -13.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -164.501084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.501084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.501084 (E_RNA) where: Base-Base interactions energy: -96.612 where: short stacking energy: -49.801 Base-Backbone interact. energy: -0.075 local terms energy: -67.813773 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -13.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -148.632864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.632864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.632864 (E_RNA) where: Base-Base interactions energy: -88.288 where: short stacking energy: -41.018 Base-Backbone interact. energy: -0.145 local terms energy: -60.199050 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -14.251 flat angles C4'-P-C4' energy: -13.370 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -10.266 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: 7, replica: 8 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -148.889567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.889567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.889567 (E_RNA) where: Base-Base interactions energy: -92.634 where: short stacking energy: -41.871 Base-Backbone interact. energy: -0.147 local terms energy: -56.108401 where: bonds (distance) C4'-P energy: -14.732 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -10.706 flat angles P-C4'-P energy: -12.711 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -147.572266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.572266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.572266 (E_RNA) where: Base-Base interactions energy: -85.674 where: short stacking energy: -48.720 Base-Backbone interact. energy: -0.136 local terms energy: -61.762521 where: bonds (distance) C4'-P energy: -16.955 bonds (distance) P-C4' energy: -12.776 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -10.838 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: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -80.867311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.867311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.867311 (E_RNA) where: Base-Base interactions energy: -33.410 where: short stacking energy: -33.410 Base-Backbone interact. energy: -0.041 local terms energy: -47.416386 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -15.100 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -79.712393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.712393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.712393 (E_RNA) where: Base-Base interactions energy: -30.126 where: short stacking energy: -28.408 Base-Backbone interact. energy: -0.039 local terms energy: -49.547169 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -4.714 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: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -210.114002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.114002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.114002 (E_RNA) where: Base-Base interactions energy: -142.339 where: short stacking energy: -61.919 Base-Backbone interact. energy: -0.124 local terms energy: -67.650612 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -11.262 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -226.100787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.100787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.100787 (E_RNA) where: Base-Base interactions energy: -144.546 where: short stacking energy: -68.841 Base-Backbone interact. energy: -0.118 local terms energy: -81.436684 where: bonds (distance) C4'-P energy: -17.612 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -12.835 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -199.163576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.163576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.163576 (E_RNA) where: Base-Base interactions energy: -131.808 where: short stacking energy: -59.048 Base-Backbone interact. energy: -0.708 local terms energy: -66.647755 where: bonds (distance) C4'-P energy: -14.541 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: -14.055 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: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -155.215220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.215220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.215220 (E_RNA) where: Base-Base interactions energy: -93.186 where: short stacking energy: -53.706 Base-Backbone interact. energy: -0.120 local terms energy: -61.909155 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -9.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -165.878776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.878776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.878776 (E_RNA) where: Base-Base interactions energy: -102.633 where: short stacking energy: -49.647 Base-Backbone interact. energy: -0.152 local terms energy: -63.093403 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -11.144 tors. eta vs tors. theta energy: -8.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -162.627709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.627709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.627709 (E_RNA) where: Base-Base interactions energy: -104.423 where: short stacking energy: -52.600 Base-Backbone interact. energy: -0.048 local terms energy: -58.157438 where: bonds (distance) C4'-P energy: -13.644 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -7.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -157.036384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.036384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.036384 (E_RNA) where: Base-Base interactions energy: -99.263 where: short stacking energy: -47.347 Base-Backbone interact. energy: -0.063 local terms energy: -57.710262 where: bonds (distance) C4'-P energy: -7.984 bonds (distance) P-C4' energy: -14.897 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -9.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -152.385985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.385985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.385985 (E_RNA) where: Base-Base interactions energy: -95.321 where: short stacking energy: -55.222 Base-Backbone interact. energy: -0.129 local terms energy: -56.936149 where: bonds (distance) C4'-P energy: -9.933 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -85.448061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.448061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.448061 (E_RNA) where: Base-Base interactions energy: -37.493 where: short stacking energy: -33.538 Base-Backbone interact. energy: -0.008 local terms energy: -47.947228 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -7.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -75.706192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.706192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.706192 (E_RNA) where: Base-Base interactions energy: -25.498 where: short stacking energy: -21.437 Base-Backbone interact. energy: -0.355 local terms energy: -49.852493 where: bonds (distance) C4'-P energy: -10.205 bonds (distance) P-C4' energy: -18.898 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -230.143536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.143536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.143536 (E_RNA) where: Base-Base interactions energy: -150.104 where: short stacking energy: -73.831 Base-Backbone interact. energy: -0.848 local terms energy: -79.191541 where: bonds (distance) C4'-P energy: -14.928 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -18.315 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -21.061 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: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -219.884388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.884388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.884388 (E_RNA) where: Base-Base interactions energy: -146.636 where: short stacking energy: -60.968 Base-Backbone interact. energy: -0.141 local terms energy: -73.107362 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -17.598 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -14.095 tors. eta vs tors. theta energy: -15.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -189.140561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.140561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.140561 (E_RNA) where: Base-Base interactions energy: -117.701 where: short stacking energy: -64.636 Base-Backbone interact. energy: -0.732 local terms energy: -70.707596 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -9.092 tors. eta vs tors. theta energy: -14.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -172.494517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.494517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.494517 (E_RNA) where: Base-Base interactions energy: -109.897 where: short stacking energy: -41.624 Base-Backbone interact. energy: -0.269 local terms energy: -62.328300 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -10.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -167.721779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.721779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.721779 (E_RNA) where: Base-Base interactions energy: -98.198 where: short stacking energy: -46.306 Base-Backbone interact. energy: -0.125 local terms energy: -69.398931 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -13.516 tors. eta vs tors. theta energy: -11.480 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: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -164.859494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.859494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.859494 (E_RNA) where: Base-Base interactions energy: -99.266 where: short stacking energy: -42.641 Base-Backbone interact. energy: -0.155 local terms energy: -65.438623 where: bonds (distance) C4'-P energy: -13.824 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -8.577 tors. eta vs tors. theta energy: -11.136 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: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -141.415895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.415895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.415895 (E_RNA) where: Base-Base interactions energy: -81.816 where: short stacking energy: -42.234 Base-Backbone interact. energy: -0.203 local terms energy: -59.397577 where: bonds (distance) C4'-P energy: -15.767 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -12.152 tors. eta vs tors. theta energy: -7.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -147.106957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.106957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.106957 (E_RNA) where: Base-Base interactions energy: -83.888 where: short stacking energy: -42.357 Base-Backbone interact. energy: -0.175 local terms energy: -63.043710 where: bonds (distance) C4'-P energy: -15.593 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -13.371 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -93.062951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.062951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.062951 (E_RNA) where: Base-Base interactions energy: -37.875 where: short stacking energy: -30.196 Base-Backbone interact. energy: 1.307 local terms energy: -56.495289 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -16.114 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -7.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -134.625443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.625443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.625443 (E_RNA) where: Base-Base interactions energy: -81.076 where: short stacking energy: -41.959 Base-Backbone interact. energy: 0.799 local terms energy: -54.347814 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -10.143 tors. eta vs tors. theta energy: -9.687 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: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -218.521605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.521605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.521605 (E_RNA) where: Base-Base interactions energy: -148.255 where: short stacking energy: -66.145 Base-Backbone interact. energy: -0.554 local terms energy: -69.713192 where: bonds (distance) C4'-P energy: -15.485 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -17.523 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -195.888652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.888652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.888652 (E_RNA) where: Base-Base interactions energy: -124.761 where: short stacking energy: -53.290 Base-Backbone interact. energy: -0.108 local terms energy: -71.019624 where: bonds (distance) C4'-P energy: -16.384 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -189.977003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.977003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.977003 (E_RNA) where: Base-Base interactions energy: -123.762 where: short stacking energy: -67.305 Base-Backbone interact. energy: -0.025 local terms energy: -66.190069 where: bonds (distance) C4'-P energy: -7.454 bonds (distance) P-C4' energy: -14.986 flat angles C4'-P-C4' energy: -15.884 flat angles P-C4'-P energy: -12.343 tors. eta vs tors. theta energy: -15.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -176.178413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.178413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.178413 (E_RNA) where: Base-Base interactions energy: -114.371 where: short stacking energy: -44.515 Base-Backbone interact. energy: -0.125 local terms energy: -61.682584 where: bonds (distance) C4'-P energy: -15.473 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -160.491842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.491842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.491842 (E_RNA) where: Base-Base interactions energy: -103.092 where: short stacking energy: -58.598 Base-Backbone interact. energy: -0.195 local terms energy: -57.205043 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -15.271 flat angles C4'-P-C4' energy: -15.839 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -9.044 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: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -161.591803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.591803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.591803 (E_RNA) where: Base-Base interactions energy: -101.650 where: short stacking energy: -57.790 Base-Backbone interact. energy: -0.028 local terms energy: -59.913222 where: bonds (distance) C4'-P energy: -14.980 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -15.111 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -10.432 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: 8 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -159.665864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.665864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.665864 (E_RNA) where: Base-Base interactions energy: -94.799 where: short stacking energy: -55.822 Base-Backbone interact. energy: -0.006 local terms energy: -64.860897 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -9.323 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -17.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -147.991721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.991721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.991721 (E_RNA) where: Base-Base interactions energy: -91.691 where: short stacking energy: -52.661 Base-Backbone interact. energy: -0.081 local terms energy: -56.218935 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -7.434 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: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -88.875838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.875838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.875838 (E_RNA) where: Base-Base interactions energy: -39.385 where: short stacking energy: -32.313 Base-Backbone interact. energy: -0.280 local terms energy: -49.210751 where: bonds (distance) C4'-P energy: -8.560 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -16.549 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -133.139074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.139074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.139074 (E_RNA) where: Base-Base interactions energy: -81.367 where: short stacking energy: -37.028 Base-Backbone interact. energy: -0.173 local terms energy: -51.598763 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -11.305 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -10.643 tors. eta vs tors. theta energy: -5.389 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: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -218.061046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.061046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.061046 (E_RNA) where: Base-Base interactions energy: -139.106 where: short stacking energy: -66.740 Base-Backbone interact. energy: -0.609 local terms energy: -78.346461 where: bonds (distance) C4'-P energy: -17.452 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -17.967 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -18.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -223.170257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.170257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.170257 (E_RNA) where: Base-Base interactions energy: -147.261 where: short stacking energy: -66.719 Base-Backbone interact. energy: -0.369 local terms energy: -75.540739 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -13.478 tors. eta vs tors. theta energy: -17.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -198.671172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.671172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.671172 (E_RNA) where: Base-Base interactions energy: -128.214 where: short stacking energy: -66.316 Base-Backbone interact. energy: -0.039 local terms energy: -70.418181 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -17.436 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -13.693 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: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -180.124945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.124945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.124945 (E_RNA) where: Base-Base interactions energy: -116.803 where: short stacking energy: -54.849 Base-Backbone interact. energy: 0.833 local terms energy: -64.154605 where: bonds (distance) C4'-P energy: -16.918 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -10.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -164.439017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.439017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.439017 (E_RNA) where: Base-Base interactions energy: -102.153 where: short stacking energy: -55.639 Base-Backbone interact. energy: -0.140 local terms energy: -62.146009 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -16.592 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -12.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -174.912876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.912876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.912876 (E_RNA) where: Base-Base interactions energy: -108.753 where: short stacking energy: -58.988 Base-Backbone interact. energy: -0.684 local terms energy: -65.475808 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -12.621 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: 8 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -142.161058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.161058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.161058 (E_RNA) where: Base-Base interactions energy: -89.271 where: short stacking energy: -44.365 Base-Backbone interact. energy: -0.234 local terms energy: -52.655949 where: bonds (distance) C4'-P energy: -13.920 bonds (distance) P-C4' energy: -13.622 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -150.056315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.056315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.056315 (E_RNA) where: Base-Base interactions energy: -89.368 where: short stacking energy: -40.545 Base-Backbone interact. energy: -0.328 local terms energy: -60.360987 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -18.690 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -6.748 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: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -135.585468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.585468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.585468 (E_RNA) where: Base-Base interactions energy: -82.035 where: short stacking energy: -29.740 Base-Backbone interact. energy: -0.154 local terms energy: -53.396301 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -16.198 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -12.118 tors. eta vs tors. theta energy: 0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -85.961832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.961832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.961832 (E_RNA) where: Base-Base interactions energy: -37.014 where: short stacking energy: -35.840 Base-Backbone interact. energy: 0.138 local terms energy: -49.085090 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -11.819 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -217.362386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.362386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.362386 (E_RNA) where: Base-Base interactions energy: -137.346 where: short stacking energy: -66.868 Base-Backbone interact. energy: -0.095 local terms energy: -79.922152 where: bonds (distance) C4'-P energy: -17.738 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -16.601 flat angles P-C4'-P energy: -11.538 tors. eta vs tors. theta energy: -18.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -223.820882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.820882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.820882 (E_RNA) where: Base-Base interactions energy: -154.745 where: short stacking energy: -66.583 Base-Backbone interact. energy: -0.497 local terms energy: -68.578921 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -9.227 flat angles P-C4'-P energy: -13.177 tors. eta vs tors. theta energy: -17.811 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: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -201.038280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.038280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.038280 (E_RNA) where: Base-Base interactions energy: -127.999 where: short stacking energy: -63.454 Base-Backbone interact. energy: -0.092 local terms energy: -72.947160 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -16.769 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -17.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -166.138727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.138727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.138727 (E_RNA) where: Base-Base interactions energy: -97.302 where: short stacking energy: -56.745 Base-Backbone interact. energy: -0.211 local terms energy: -68.626470 where: bonds (distance) C4'-P energy: -14.413 bonds (distance) P-C4' energy: -13.266 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -12.535 tors. eta vs tors. theta energy: -13.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -154.373647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.373647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.373647 (E_RNA) where: Base-Base interactions energy: -91.215 where: short stacking energy: -38.455 Base-Backbone interact. energy: -0.125 local terms energy: -63.033157 where: bonds (distance) C4'-P energy: -16.007 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -10.980 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -10.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -162.011926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.011926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.011926 (E_RNA) where: Base-Base interactions energy: -96.049 where: short stacking energy: -53.553 Base-Backbone interact. energy: -0.090 local terms energy: -65.873299 where: bonds (distance) C4'-P energy: -16.555 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -16.347 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -14.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -149.092593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.092593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.092593 (E_RNA) where: Base-Base interactions energy: -85.889 where: short stacking energy: -42.582 Base-Backbone interact. energy: -0.340 local terms energy: -62.863168 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -13.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -99.110829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.110829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.110829 (E_RNA) where: Base-Base interactions energy: -47.903 where: short stacking energy: -47.011 Base-Backbone interact. energy: -0.014 local terms energy: -51.194513 where: bonds (distance) C4'-P energy: -14.703 bonds (distance) P-C4' energy: -14.151 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -8.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -151.351942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.351942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.351942 (E_RNA) where: Base-Base interactions energy: -100.322 where: short stacking energy: -55.272 Base-Backbone interact. energy: -0.196 local terms energy: -50.833979 where: bonds (distance) C4'-P energy: -5.567 bonds (distance) P-C4' energy: -8.465 flat angles C4'-P-C4' energy: -11.244 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -17.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -82.843408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.843408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.843408 (E_RNA) where: Base-Base interactions energy: -27.819 where: short stacking energy: -26.989 Base-Backbone interact. energy: -0.036 local terms energy: -54.988062 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -7.158 tors. eta vs tors. theta energy: -9.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -229.620484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.620484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.620484 (E_RNA) where: Base-Base interactions energy: -150.267 where: short stacking energy: -77.012 Base-Backbone interact. energy: -0.619 local terms energy: -78.734405 where: bonds (distance) C4'-P energy: -15.353 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -15.918 flat angles P-C4'-P energy: -12.362 tors. eta vs tors. theta energy: -20.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -204.213543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.213543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.213543 (E_RNA) where: Base-Base interactions energy: -136.472 where: short stacking energy: -67.268 Base-Backbone interact. energy: -0.250 local terms energy: -67.491541 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -15.049 flat angles C4'-P-C4' energy: -14.501 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -20.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -191.920094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.920094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.920094 (E_RNA) where: Base-Base interactions energy: -123.512 where: short stacking energy: -62.603 Base-Backbone interact. energy: -0.180 local terms energy: -68.227609 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -16.924 flat angles C4'-P-C4' energy: -14.438 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -15.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -174.589432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.589432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.589432 (E_RNA) where: Base-Base interactions energy: -98.890 where: short stacking energy: -51.846 Base-Backbone interact. energy: -0.013 local terms energy: -75.686501 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -18.147 flat angles C4'-P-C4' energy: -16.461 flat angles P-C4'-P energy: -10.497 tors. eta vs tors. theta energy: -16.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -165.668100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.668100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.668100 (E_RNA) where: Base-Base interactions energy: -98.630 where: short stacking energy: -61.237 Base-Backbone interact. energy: -0.019 local terms energy: -67.019391 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -18.193 flat angles C4'-P-C4' energy: -17.183 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -13.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -154.818642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.818642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.818642 (E_RNA) where: Base-Base interactions energy: -95.083 where: short stacking energy: -52.662 Base-Backbone interact. energy: 0.543 local terms energy: -60.278345 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -10.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -100.875887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.875887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.875887 (E_RNA) where: Base-Base interactions energy: -45.527 where: short stacking energy: -43.710 Base-Backbone interact. energy: -0.103 local terms energy: -55.246415 where: bonds (distance) C4'-P energy: -8.509 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -140.457546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.457546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.457546 (E_RNA) where: Base-Base interactions energy: -84.728 where: short stacking energy: -48.077 Base-Backbone interact. energy: -0.111 local terms energy: -55.618839 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -12.406 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -9.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -146.107216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.107216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.107216 (E_RNA) where: Base-Base interactions energy: -81.262 where: short stacking energy: -45.352 Base-Backbone interact. energy: -0.627 local terms energy: -64.218653 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -12.270 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -14.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -84.533552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.533552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.533552 (E_RNA) where: Base-Base interactions energy: -36.142 where: short stacking energy: -36.142 Base-Backbone interact. energy: -0.025 local terms energy: -48.365809 where: bonds (distance) C4'-P energy: -9.396 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -6.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -226.157673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.157673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.157673 (E_RNA) where: Base-Base interactions energy: -151.814 where: short stacking energy: -70.802 Base-Backbone interact. energy: 1.184 local terms energy: -75.526750 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -16.120 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -19.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -210.846249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.846249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.846249 (E_RNA) where: Base-Base interactions energy: -136.876 where: short stacking energy: -68.259 Base-Backbone interact. energy: 0.485 local terms energy: -74.455261 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -17.322 flat angles C4'-P-C4' energy: -15.720 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -189.676314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.676314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.676314 (E_RNA) where: Base-Base interactions energy: -115.538 where: short stacking energy: -72.258 Base-Backbone interact. energy: -0.113 local terms energy: -74.025236 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -16.066 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -20.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -180.726824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.726824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.726824 (E_RNA) where: Base-Base interactions energy: -115.324 where: short stacking energy: -60.865 Base-Backbone interact. energy: -0.415 local terms energy: -64.987818 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -17.936 flat angles C4'-P-C4' energy: -16.967 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -151.443536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.443536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.443536 (E_RNA) where: Base-Base interactions energy: -89.626 where: short stacking energy: -42.711 Base-Backbone interact. energy: -0.109 local terms energy: -61.708823 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -94.983692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.983692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.983692 (E_RNA) where: Base-Base interactions energy: -37.660 where: short stacking energy: -37.660 Base-Backbone interact. energy: -0.215 local terms energy: -57.107888 where: bonds (distance) C4'-P energy: -17.924 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -10.170 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -147.491412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.491412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.491412 (E_RNA) where: Base-Base interactions energy: -97.800 where: short stacking energy: -49.097 Base-Backbone interact. energy: 0.308 local terms energy: -49.999342 where: bonds (distance) C4'-P energy: -11.109 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -167.175333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.175333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.175333 (E_RNA) where: Base-Base interactions energy: -105.203 where: short stacking energy: -54.879 Base-Backbone interact. energy: 1.084 local terms energy: -63.056003 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -16.525 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -10.283 tors. eta vs tors. theta energy: -10.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -140.409179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.409179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.409179 (E_RNA) where: Base-Base interactions energy: -84.531 where: short stacking energy: -43.931 Base-Backbone interact. energy: -0.523 local terms energy: -55.355689 where: bonds (distance) C4'-P energy: -9.205 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -8.551 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: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -84.943473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.943473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.943473 (E_RNA) where: Base-Base interactions energy: -33.199 where: short stacking energy: -32.027 Base-Backbone interact. energy: -0.022 local terms energy: -51.722347 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -195.649226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.649226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.649226 (E_RNA) where: Base-Base interactions energy: -124.382 where: short stacking energy: -67.039 Base-Backbone interact. energy: -0.121 local terms energy: -71.146002 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -13.662 tors. eta vs tors. theta energy: -13.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -220.499618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.499618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.499618 (E_RNA) where: Base-Base interactions energy: -147.011 where: short stacking energy: -65.923 Base-Backbone interact. energy: 0.093 local terms energy: -73.581578 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -16.530 flat angles C4'-P-C4' energy: -16.048 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -19.531 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: 414 Temperature: 1.000000 Total energy: -173.133515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.133515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.133515 (E_RNA) where: Base-Base interactions energy: -110.138 where: short stacking energy: -61.046 Base-Backbone interact. energy: -0.106 local terms energy: -62.889763 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -15.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -166.178263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.178263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.178263 (E_RNA) where: Base-Base interactions energy: -104.643 where: short stacking energy: -53.177 Base-Backbone interact. energy: -0.150 local terms energy: -61.385486 where: bonds (distance) C4'-P energy: -15.612 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -8.307 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: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -154.705106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.705106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.705106 (E_RNA) where: Base-Base interactions energy: -88.217 where: short stacking energy: -47.088 Base-Backbone interact. energy: -0.543 local terms energy: -65.945141 where: bonds (distance) C4'-P energy: -15.075 bonds (distance) P-C4' energy: -11.306 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -12.479 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -108.734436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.734436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.734436 (E_RNA) where: Base-Base interactions energy: -42.669 where: short stacking energy: -38.527 Base-Backbone interact. energy: 0.214 local terms energy: -66.279520 where: bonds (distance) C4'-P energy: -16.103 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -9.123 flat angles P-C4'-P energy: -12.027 tors. eta vs tors. theta energy: -13.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -159.357701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.357701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.357701 (E_RNA) where: Base-Base interactions energy: -90.431 where: short stacking energy: -41.907 Base-Backbone interact. energy: -0.614 local terms energy: -68.312614 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -12.603 tors. eta vs tors. theta energy: -12.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -140.299714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.299714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.299714 (E_RNA) where: Base-Base interactions energy: -82.387 where: short stacking energy: -45.161 Base-Backbone interact. energy: -0.105 local terms energy: -57.807290 where: bonds (distance) C4'-P energy: -11.430 bonds (distance) P-C4' energy: -16.332 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -8.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -139.007005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.007005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.007005 (E_RNA) where: Base-Base interactions energy: -86.196 where: short stacking energy: -41.781 Base-Backbone interact. energy: 0.215 local terms energy: -53.025865 where: bonds (distance) C4'-P energy: -10.484 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -15.528 flat angles P-C4'-P energy: -1.312 tors. eta vs tors. theta energy: -9.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -84.348603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.348603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.348603 (E_RNA) where: Base-Base interactions energy: -31.590 where: short stacking energy: -31.590 Base-Backbone interact. energy: -0.186 local terms energy: -52.572802 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -12.437 tors. eta vs tors. theta energy: -5.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -197.003874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.003874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.003874 (E_RNA) where: Base-Base interactions energy: -118.017 where: short stacking energy: -71.412 Base-Backbone interact. energy: -0.302 local terms energy: -78.684488 where: bonds (distance) C4'-P energy: -15.307 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -17.232 flat angles P-C4'-P energy: -12.238 tors. eta vs tors. theta energy: -18.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -224.143913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.143913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.143913 (E_RNA) where: Base-Base interactions energy: -150.862 where: short stacking energy: -72.368 Base-Backbone interact. energy: -0.654 local terms energy: -72.627469 where: bonds (distance) C4'-P energy: -14.853 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -16.979 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: 3, replica: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -178.512183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.512183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.512183 (E_RNA) where: Base-Base interactions energy: -105.935 where: short stacking energy: -55.270 Base-Backbone interact. energy: 1.448 local terms energy: -74.025277 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -17.206 flat angles C4'-P-C4' energy: -16.163 flat angles P-C4'-P energy: -12.507 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -152.873240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.873240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.873240 (E_RNA) where: Base-Base interactions energy: -90.503 where: short stacking energy: -46.266 Base-Backbone interact. energy: 0.985 local terms energy: -63.354651 where: bonds (distance) C4'-P energy: -16.458 bonds (distance) P-C4' energy: -14.475 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -12.236 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -179.350076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.350076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.350076 (E_RNA) where: Base-Base interactions energy: -110.455 where: short stacking energy: -69.051 Base-Backbone interact. energy: -0.019 local terms energy: -68.876012 where: bonds (distance) C4'-P energy: -14.600 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -16.518 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -19.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -160.020600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.020600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.020600 (E_RNA) where: Base-Base interactions energy: -95.795 where: short stacking energy: -45.512 Base-Backbone interact. energy: -0.608 local terms energy: -63.617481 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -10.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -113.645347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.645347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.645347 (E_RNA) where: Base-Base interactions energy: -49.492 where: short stacking energy: -47.639 Base-Backbone interact. energy: -0.118 local terms energy: -64.035556 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -9.286 tors. eta vs tors. theta energy: -14.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -156.092344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.092344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.092344 (E_RNA) where: Base-Base interactions energy: -96.581 where: short stacking energy: -51.001 Base-Backbone interact. energy: -0.070 local terms energy: -59.441271 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -12.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -135.155124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.155124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.155124 (E_RNA) where: Base-Base interactions energy: -82.843 where: short stacking energy: -41.346 Base-Backbone interact. energy: -0.025 local terms energy: -52.287110 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -12.110 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -74.203523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.203523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.203523 (E_RNA) where: Base-Base interactions energy: -28.615 where: short stacking energy: -22.753 Base-Backbone interact. energy: -0.292 local terms energy: -45.296401 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -9.409 flat angles P-C4'-P energy: -12.870 tors. eta vs tors. theta energy: 3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -225.106218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.106218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.106218 (E_RNA) where: Base-Base interactions energy: -152.343 where: short stacking energy: -71.467 Base-Backbone interact. energy: -0.075 local terms energy: -72.688200 where: bonds (distance) C4'-P energy: -15.358 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -16.165 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -16.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -198.510023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.510023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.510023 (E_RNA) where: Base-Base interactions energy: -118.183 where: short stacking energy: -71.321 Base-Backbone interact. energy: -0.014 local terms energy: -80.313801 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -18.272 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -23.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -172.796057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.796057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.796057 (E_RNA) where: Base-Base interactions energy: -94.309 where: short stacking energy: -51.322 Base-Backbone interact. energy: -0.196 local terms energy: -78.290791 where: bonds (distance) C4'-P energy: -16.152 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -14.796 flat angles P-C4'-P energy: -13.695 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -159.732985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.732985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.732985 (E_RNA) where: Base-Base interactions energy: -91.120 where: short stacking energy: -51.795 Base-Backbone interact. energy: -0.101 local terms energy: -68.511982 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -12.928 tors. eta vs tors. theta energy: -13.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -169.702726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.702726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.702726 (E_RNA) where: Base-Base interactions energy: -94.686 where: short stacking energy: -47.983 Base-Backbone interact. energy: -0.375 local terms energy: -74.642421 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -17.925 flat angles C4'-P-C4' energy: -15.410 flat angles P-C4'-P energy: -12.631 tors. eta vs tors. theta energy: -14.951 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: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -165.182153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.182153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.182153 (E_RNA) where: Base-Base interactions energy: -106.826 where: short stacking energy: -44.608 Base-Backbone interact. energy: -0.216 local terms energy: -58.140878 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -16.664 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -151.890241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.890241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.890241 (E_RNA) where: Base-Base interactions energy: -90.881 where: short stacking energy: -49.388 Base-Backbone interact. energy: -0.017 local terms energy: -60.992454 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -15.443 flat angles C4'-P-C4' energy: -16.114 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: -8.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -87.531750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.531750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.531750 (E_RNA) where: Base-Base interactions energy: -47.049 where: short stacking energy: -33.081 Base-Backbone interact. energy: 0.577 local terms energy: -41.060207 where: bonds (distance) C4'-P energy: -6.825 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -9.933 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -0.951 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: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -138.174985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.174985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.174985 (E_RNA) where: Base-Base interactions energy: -80.522 where: short stacking energy: -41.698 Base-Backbone interact. energy: -0.965 local terms energy: -56.688260 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -82.783594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.783594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.783594 (E_RNA) where: Base-Base interactions energy: -31.894 where: short stacking energy: -27.093 Base-Backbone interact. energy: -0.209 local terms energy: -50.680856 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -225.680883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.680883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.680883 (E_RNA) where: Base-Base interactions energy: -149.272 where: short stacking energy: -72.954 Base-Backbone interact. energy: -0.296 local terms energy: -76.112295 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -12.588 tors. eta vs tors. theta energy: -18.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -193.521043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.521043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.521043 (E_RNA) where: Base-Base interactions energy: -120.633 where: short stacking energy: -70.533 Base-Backbone interact. energy: 1.317 local terms energy: -74.204923 where: bonds (distance) C4'-P energy: -16.297 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -17.334 flat angles P-C4'-P energy: -11.578 tors. eta vs tors. theta energy: -16.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -158.754061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.754061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.754061 (E_RNA) where: Base-Base interactions energy: -103.903 where: short stacking energy: -44.123 Base-Backbone interact. energy: 0.389 local terms energy: -55.240097 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -10.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -169.773770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.773770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.773770 (E_RNA) where: Base-Base interactions energy: -101.416 where: short stacking energy: -55.239 Base-Backbone interact. energy: -0.353 local terms energy: -68.004625 where: bonds (distance) C4'-P energy: -15.858 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -14.558 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -14.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -160.214093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.214093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.214093 (E_RNA) where: Base-Base interactions energy: -99.727 where: short stacking energy: -53.249 Base-Backbone interact. energy: -0.295 local terms energy: -60.192379 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -16.350 flat angles C4'-P-C4' energy: -10.226 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -10.913 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: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -165.145196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.145196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.145196 (E_RNA) where: Base-Base interactions energy: -99.409 where: short stacking energy: -54.164 Base-Backbone interact. energy: -0.451 local terms energy: -65.285396 where: bonds (distance) C4'-P energy: -9.391 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -12.595 tors. eta vs tors. theta energy: -11.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -151.968466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.968466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.968466 (E_RNA) where: Base-Base interactions energy: -98.717 where: short stacking energy: -57.918 Base-Backbone interact. energy: -0.480 local terms energy: -52.771464 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -10.012 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -10.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -145.327577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.327577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.327577 (E_RNA) where: Base-Base interactions energy: -85.146 where: short stacking energy: -43.345 Base-Backbone interact. energy: -0.040 local terms energy: -60.141815 where: bonds (distance) C4'-P energy: -12.356 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -16.472 flat angles P-C4'-P energy: -9.909 tors. eta vs tors. theta energy: -10.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -85.053355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.053355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.053355 (E_RNA) where: Base-Base interactions energy: -33.268 where: short stacking energy: -33.036 Base-Backbone interact. energy: -0.085 local terms energy: -51.700655 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -9.998 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -10.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -83.708509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.708509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.708509 (E_RNA) where: Base-Base interactions energy: -32.879 where: short stacking energy: -30.169 Base-Backbone interact. energy: 1.517 local terms energy: -52.346800 where: bonds (distance) C4'-P energy: -14.782 bonds (distance) P-C4' energy: -10.720 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -226.333922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.333922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.333922 (E_RNA) where: Base-Base interactions energy: -152.144 where: short stacking energy: -75.760 Base-Backbone interact. energy: -0.405 local terms energy: -73.785619 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -20.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -181.121868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.121868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.121868 (E_RNA) where: Base-Base interactions energy: -106.642 where: short stacking energy: -68.146 Base-Backbone interact. energy: -0.017 local terms energy: -74.462880 where: bonds (distance) C4'-P energy: -17.443 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -17.074 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -183.583643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.583643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.583643 (E_RNA) where: Base-Base interactions energy: -114.173 where: short stacking energy: -65.169 Base-Backbone interact. energy: 0.387 local terms energy: -69.797081 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -14.446 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -11.455 tors. eta vs tors. theta energy: -17.485 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: 418 Temperature: 1.050000 Total energy: -158.006206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.006206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.006206 (E_RNA) where: Base-Base interactions energy: -92.511 where: short stacking energy: -46.464 Base-Backbone interact. energy: -0.167 local terms energy: -65.327794 where: bonds (distance) C4'-P energy: -14.395 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -9.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -166.452769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.452769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.452769 (E_RNA) where: Base-Base interactions energy: -98.761 where: short stacking energy: -51.337 Base-Backbone interact. energy: -0.041 local terms energy: -67.650413 where: bonds (distance) C4'-P energy: -15.709 bonds (distance) P-C4' energy: -15.282 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -12.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -166.876308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.876308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.876308 (E_RNA) where: Base-Base interactions energy: -101.090 where: short stacking energy: -60.962 Base-Backbone interact. energy: -0.004 local terms energy: -65.782402 where: bonds (distance) C4'-P energy: -16.379 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -17.242 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: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -147.879494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.879494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.879494 (E_RNA) where: Base-Base interactions energy: -89.427 where: short stacking energy: -37.680 Base-Backbone interact. energy: -1.223 local terms energy: -57.229546 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -136.883992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.883992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.883992 (E_RNA) where: Base-Base interactions energy: -81.063 where: short stacking energy: -38.458 Base-Backbone interact. energy: -0.157 local terms energy: -55.664321 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -9.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -98.684331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.684331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.684331 (E_RNA) where: Base-Base interactions energy: -51.140 where: short stacking energy: -25.187 Base-Backbone interact. energy: 2.885 local terms energy: -50.429456 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -82.575657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.575657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.575657 (E_RNA) where: Base-Base interactions energy: -34.540 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.055 local terms energy: -47.980625 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -15.670 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -229.469141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.469141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.469141 (E_RNA) where: Base-Base interactions energy: -153.315 where: short stacking energy: -78.556 Base-Backbone interact. energy: -0.029 local terms energy: -76.124556 where: bonds (distance) C4'-P energy: -16.367 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -12.797 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -192.875829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.875829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.875829 (E_RNA) where: Base-Base interactions energy: -124.395 where: short stacking energy: -65.366 Base-Backbone interact. energy: -0.130 local terms energy: -68.350754 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -14.959 flat angles C4'-P-C4' energy: -15.937 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -15.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -187.986856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.986856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.986856 (E_RNA) where: Base-Base interactions energy: -109.769 where: short stacking energy: -66.454 Base-Backbone interact. energy: -0.039 local terms energy: -78.179003 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -12.128 tors. eta vs tors. theta energy: -21.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -171.446213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.446213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.446213 (E_RNA) where: Base-Base interactions energy: -104.139 where: short stacking energy: -56.783 Base-Backbone interact. energy: -0.090 local terms energy: -67.216736 where: bonds (distance) C4'-P energy: -15.387 bonds (distance) P-C4' energy: -15.310 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -15.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -169.155104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.155104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.155104 (E_RNA) where: Base-Base interactions energy: -102.175 where: short stacking energy: -66.316 Base-Backbone interact. energy: 0.451 local terms energy: -67.431871 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -13.757 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: -13.175 tors. eta vs tors. theta energy: -17.965 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: 10 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -157.338419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.338419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.338419 (E_RNA) where: Base-Base interactions energy: -102.515 where: short stacking energy: -57.658 Base-Backbone interact. energy: -0.181 local terms energy: -54.642271 where: bonds (distance) C4'-P energy: -9.679 bonds (distance) P-C4' energy: -15.006 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -10.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -151.700335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.700335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.700335 (E_RNA) where: Base-Base interactions energy: -97.297 where: short stacking energy: -46.412 Base-Backbone interact. energy: 0.598 local terms energy: -55.001521 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -2.157 tors. eta vs tors. theta energy: -10.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -147.829194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.829194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.829194 (E_RNA) where: Base-Base interactions energy: -88.290 where: short stacking energy: -46.809 Base-Backbone interact. energy: 0.751 local terms energy: -60.289592 where: bonds (distance) C4'-P energy: -13.698 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -8.726 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: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -79.322728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.322728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.322728 (E_RNA) where: Base-Base interactions energy: -35.284 where: short stacking energy: -31.843 Base-Backbone interact. energy: 0.290 local terms energy: -44.329188 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -14.538 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -1.187 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: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -101.172487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.172487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.172487 (E_RNA) where: Base-Base interactions energy: -47.566 where: short stacking energy: -21.017 Base-Backbone interact. energy: -0.359 local terms energy: -53.248015 where: bonds (distance) C4'-P energy: -13.601 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -228.497661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.497661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.497661 (E_RNA) where: Base-Base interactions energy: -149.259 where: short stacking energy: -69.136 Base-Backbone interact. energy: -0.981 local terms energy: -78.257772 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -17.616 flat angles C4'-P-C4' energy: -16.499 flat angles P-C4'-P energy: -12.163 tors. eta vs tors. theta energy: -19.776 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: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -181.265123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.265123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.265123 (E_RNA) where: Base-Base interactions energy: -112.628 where: short stacking energy: -65.094 Base-Backbone interact. energy: -0.259 local terms energy: -68.378607 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -15.750 flat angles P-C4'-P energy: -12.886 tors. eta vs tors. theta energy: -14.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -169.289350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.289350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.289350 (E_RNA) where: Base-Base interactions energy: -113.112 where: short stacking energy: -53.237 Base-Backbone interact. energy: -0.110 local terms energy: -56.067812 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -4.800 flat angles C4'-P-C4' energy: -17.276 flat angles P-C4'-P energy: -10.690 tors. eta vs tors. theta energy: -10.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -167.630118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.630118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.630118 (E_RNA) where: Base-Base interactions energy: -110.000 where: short stacking energy: -55.200 Base-Backbone interact. energy: -0.100 local terms energy: -57.529260 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -15.845 flat angles C4'-P-C4' energy: -14.438 flat angles P-C4'-P energy: -0.960 tors. eta vs tors. theta energy: -11.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -165.268211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.268211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.268211 (E_RNA) where: Base-Base interactions energy: -99.613 where: short stacking energy: -50.868 Base-Backbone interact. energy: -0.100 local terms energy: -65.555292 where: bonds (distance) C4'-P energy: -15.250 bonds (distance) P-C4' energy: -15.275 flat angles C4'-P-C4' energy: -15.973 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -145.444194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.444194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.444194 (E_RNA) where: Base-Base interactions energy: -89.581 where: short stacking energy: -47.506 Base-Backbone interact. energy: -0.264 local terms energy: -55.599975 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -11.792 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -6.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -150.950354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.950354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.950354 (E_RNA) where: Base-Base interactions energy: -85.643 where: short stacking energy: -44.963 Base-Backbone interact. energy: 0.816 local terms energy: -66.123302 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -12.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -144.558660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.558660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.558660 (E_RNA) where: Base-Base interactions energy: -87.099 where: short stacking energy: -45.335 Base-Backbone interact. energy: -0.430 local terms energy: -57.029916 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -12.453 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: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -83.841254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.841254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.841254 (E_RNA) where: Base-Base interactions energy: -34.915 where: short stacking energy: -32.507 Base-Backbone interact. energy: 1.758 local terms energy: -50.684020 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -15.580 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -76.474980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.474980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.474980 (E_RNA) where: Base-Base interactions energy: -24.630 where: short stacking energy: -23.097 Base-Backbone interact. energy: -0.252 local terms energy: -51.592748 where: bonds (distance) C4'-P energy: -12.732 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -221.077004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.077004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.077004 (E_RNA) where: Base-Base interactions energy: -143.348 where: short stacking energy: -67.728 Base-Backbone interact. energy: -0.469 local terms energy: -77.260340 where: bonds (distance) C4'-P energy: -16.226 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -18.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -184.547210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.547210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.547210 (E_RNA) where: Base-Base interactions energy: -104.018 where: short stacking energy: -57.984 Base-Backbone interact. energy: -0.054 local terms energy: -80.474997 where: bonds (distance) C4'-P energy: -17.542 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -13.316 tors. eta vs tors. theta energy: -17.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -168.316176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.316176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.316176 (E_RNA) where: Base-Base interactions energy: -106.162 where: short stacking energy: -57.332 Base-Backbone interact. energy: -0.778 local terms energy: -61.376216 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -12.471 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: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -173.330814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.330814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.330814 (E_RNA) where: Base-Base interactions energy: -107.569 where: short stacking energy: -60.273 Base-Backbone interact. energy: -0.360 local terms energy: -65.401141 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -10.091 tors. eta vs tors. theta energy: -15.588 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: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -166.547781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.547781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.547781 (E_RNA) where: Base-Base interactions energy: -103.417 where: short stacking energy: -46.519 Base-Backbone interact. energy: 1.249 local terms energy: -64.378974 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -16.900 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -9.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -159.309115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.309115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.309115 (E_RNA) where: Base-Base interactions energy: -96.061 where: short stacking energy: -56.256 Base-Backbone interact. energy: -0.108 local terms energy: -63.140692 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -7.402 tors. eta vs tors. theta energy: -12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -155.138313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.138313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.138313 (E_RNA) where: Base-Base interactions energy: -95.821 where: short stacking energy: -48.295 Base-Backbone interact. energy: -0.309 local terms energy: -59.009043 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -16.903 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -11.374 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: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -151.223342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.223342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.223342 (E_RNA) where: Base-Base interactions energy: -99.254 where: short stacking energy: -48.978 Base-Backbone interact. energy: -0.357 local terms energy: -51.612920 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -9.194 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -7.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -75.484587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.484587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.484587 (E_RNA) where: Base-Base interactions energy: -36.691 where: short stacking energy: -36.691 Base-Backbone interact. energy: -0.372 local terms energy: -38.422050 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: 0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -84.010061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.010061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.010061 (E_RNA) where: Base-Base interactions energy: -39.351 where: short stacking energy: -31.908 Base-Backbone interact. energy: -0.143 local terms energy: -44.516116 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -13.285 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: 1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -221.959699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.959699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.959699 (E_RNA) where: Base-Base interactions energy: -145.277 where: short stacking energy: -71.221 Base-Backbone interact. energy: -0.150 local terms energy: -76.532862 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -17.898 flat angles P-C4'-P energy: -12.969 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -177.079181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.079181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.079181 (E_RNA) where: Base-Base interactions energy: -102.815 where: short stacking energy: -57.335 Base-Backbone interact. energy: -0.856 local terms energy: -73.407572 where: bonds (distance) C4'-P energy: -14.613 bonds (distance) P-C4' energy: -17.154 flat angles C4'-P-C4' energy: -15.277 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -17.361 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: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -188.391736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.391736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.391736 (E_RNA) where: Base-Base interactions energy: -116.085 where: short stacking energy: -64.024 Base-Backbone interact. energy: -0.151 local terms energy: -72.155362 where: bonds (distance) C4'-P energy: -15.941 bonds (distance) P-C4' energy: -16.009 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -11.889 tors. eta vs tors. theta energy: -13.633 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: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -158.695313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.695313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.695313 (E_RNA) where: Base-Base interactions energy: -95.915 where: short stacking energy: -46.365 Base-Backbone interact. energy: -0.333 local terms energy: -62.446934 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -172.282178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.282178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.282178 (E_RNA) where: Base-Base interactions energy: -105.951 where: short stacking energy: -54.168 Base-Backbone interact. energy: -0.128 local terms energy: -66.203146 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -12.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -158.397683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.397683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.397683 (E_RNA) where: Base-Base interactions energy: -101.065 where: short stacking energy: -53.148 Base-Backbone interact. energy: 1.830 local terms energy: -59.163158 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -13.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -158.076006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.076006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.076006 (E_RNA) where: Base-Base interactions energy: -93.168 where: short stacking energy: -47.279 Base-Backbone interact. energy: -0.094 local terms energy: -64.813275 where: bonds (distance) C4'-P energy: -15.949 bonds (distance) P-C4' energy: -14.447 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -10.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -148.707387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.707387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.707387 (E_RNA) where: Base-Base interactions energy: -98.115 where: short stacking energy: -44.994 Base-Backbone interact. energy: -0.158 local terms energy: -50.434128 where: bonds (distance) C4'-P energy: -6.825 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -11.954 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -81.162309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.162309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.162309 (E_RNA) where: Base-Base interactions energy: -34.668 where: short stacking energy: -28.181 Base-Backbone interact. energy: -0.057 local terms energy: -46.437176 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -73.493462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.493462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.493462 (E_RNA) where: Base-Base interactions energy: -25.313 where: short stacking energy: -9.470 Base-Backbone interact. energy: -0.211 local terms energy: -47.969367 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -13.858 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -230.474796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.474796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.474796 (E_RNA) where: Base-Base interactions energy: -153.313 where: short stacking energy: -73.996 Base-Backbone interact. energy: -0.486 local terms energy: -76.676121 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -17.626 flat angles P-C4'-P energy: -10.728 tors. eta vs tors. theta energy: -20.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -182.294816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.294816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.294816 (E_RNA) where: Base-Base interactions energy: -105.542 where: short stacking energy: -61.638 Base-Backbone interact. energy: -0.170 local terms energy: -76.583409 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -17.865 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -176.145000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.145000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.145000 (E_RNA) where: Base-Base interactions energy: -111.148 where: short stacking energy: -62.389 Base-Backbone interact. energy: -0.005 local terms energy: -64.991473 where: bonds (distance) C4'-P energy: -17.042 bonds (distance) P-C4' energy: -10.829 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -15.786 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: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -167.496744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.496744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.496744 (E_RNA) where: Base-Base interactions energy: -99.241 where: short stacking energy: -55.098 Base-Backbone interact. energy: -0.499 local terms energy: -67.756391 where: bonds (distance) C4'-P energy: -16.851 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -13.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -153.343745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.343745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.343745 (E_RNA) where: Base-Base interactions energy: -98.888 where: short stacking energy: -51.627 Base-Backbone interact. energy: -0.136 local terms energy: -54.319610 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -10.522 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -163.547525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.547525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.547525 (E_RNA) where: Base-Base interactions energy: -99.441 where: short stacking energy: -53.092 Base-Backbone interact. energy: -0.032 local terms energy: -64.074714 where: bonds (distance) C4'-P energy: -11.094 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -13.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -156.141680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.141680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.141680 (E_RNA) where: Base-Base interactions energy: -97.872 where: short stacking energy: -56.365 Base-Backbone interact. energy: -0.581 local terms energy: -57.689117 where: bonds (distance) C4'-P energy: -9.179 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -10.976 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -12.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -152.366299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.366299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.366299 (E_RNA) where: Base-Base interactions energy: -92.541 where: short stacking energy: -44.127 Base-Backbone interact. energy: -0.081 local terms energy: -59.743662 where: bonds (distance) C4'-P energy: -11.201 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -14.873 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -10.275 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: 423 Temperature: 1.300000 Total energy: -86.548720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.548720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.548720 (E_RNA) where: Base-Base interactions energy: -27.603 where: short stacking energy: -27.603 Base-Backbone interact. energy: -0.467 local terms energy: -58.478887 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -17.016 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -82.630267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.630267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.630267 (E_RNA) where: Base-Base interactions energy: -30.156 where: short stacking energy: -30.233 Base-Backbone interact. energy: 0.686 local terms energy: -53.159884 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -6.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -224.723492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.723492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.723492 (E_RNA) where: Base-Base interactions energy: -149.600 where: short stacking energy: -71.037 Base-Backbone interact. energy: -0.568 local terms energy: -74.555619 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -15.431 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -175.576053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.576053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.576053 (E_RNA) where: Base-Base interactions energy: -115.623 where: short stacking energy: -61.534 Base-Backbone interact. energy: 0.038 local terms energy: -59.990502 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -18.115 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -169.167653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.167653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.167653 (E_RNA) where: Base-Base interactions energy: -108.437 where: short stacking energy: -59.620 Base-Backbone interact. energy: -1.538 local terms energy: -59.192269 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -10.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -168.035952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.035952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.035952 (E_RNA) where: Base-Base interactions energy: -101.685 where: short stacking energy: -55.909 Base-Backbone interact. energy: -0.122 local terms energy: -66.229232 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -15.793 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -10.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -169.552190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.552190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.552190 (E_RNA) where: Base-Base interactions energy: -100.617 where: short stacking energy: -55.267 Base-Backbone interact. energy: -0.066 local terms energy: -68.869414 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -17.118 flat angles C4'-P-C4' energy: -15.849 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -11.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -163.043505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.043505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.043505 (E_RNA) where: Base-Base interactions energy: -100.699 where: short stacking energy: -60.425 Base-Backbone interact. energy: -0.027 local terms energy: -62.318186 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -16.473 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -15.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -144.962249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.962249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.962249 (E_RNA) where: Base-Base interactions energy: -85.425 where: short stacking energy: -38.642 Base-Backbone interact. energy: -0.352 local terms energy: -59.184679 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -9.117 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: 424 Temperature: 1.250000 Total energy: -147.105239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.105239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.105239 (E_RNA) where: Base-Base interactions energy: -83.759 where: short stacking energy: -46.122 Base-Backbone interact. energy: -0.054 local terms energy: -63.292167 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -16.277 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -17.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -76.531605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.531605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.531605 (E_RNA) where: Base-Base interactions energy: -26.963 where: short stacking energy: -26.963 Base-Backbone interact. energy: -0.228 local terms energy: -49.341018 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -17.689 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -80.175727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.175727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.175727 (E_RNA) where: Base-Base interactions energy: -35.923 where: short stacking energy: -33.645 Base-Backbone interact. energy: -0.145 local terms energy: -44.107546 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -8.694 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -6.416 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: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -223.910471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.910471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.910471 (E_RNA) where: Base-Base interactions energy: -145.939 where: short stacking energy: -73.216 Base-Backbone interact. energy: -0.424 local terms energy: -77.547338 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -21.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -185.030536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.030536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.030536 (E_RNA) where: Base-Base interactions energy: -113.606 where: short stacking energy: -65.103 Base-Backbone interact. energy: -0.175 local terms energy: -71.249599 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -12.143 tors. eta vs tors. theta energy: -17.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -169.382565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.382565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.382565 (E_RNA) where: Base-Base interactions energy: -104.736 where: short stacking energy: -59.067 Base-Backbone interact. energy: -0.023 local terms energy: -64.623569 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -11.062 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -12.932 tors. eta vs tors. theta energy: -16.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -179.663992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.663992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.663992 (E_RNA) where: Base-Base interactions energy: -112.261 where: short stacking energy: -46.027 Base-Backbone interact. energy: 0.430 local terms energy: -67.832726 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -15.798 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -11.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -164.761544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.761544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.761544 (E_RNA) where: Base-Base interactions energy: -104.444 where: short stacking energy: -53.496 Base-Backbone interact. energy: -0.477 local terms energy: -59.840772 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -150.785605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.785605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.785605 (E_RNA) where: Base-Base interactions energy: -92.858 where: short stacking energy: -52.692 Base-Backbone interact. energy: -0.075 local terms energy: -57.852859 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -16.991 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -6.954 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: 7, replica: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -146.312384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.312384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.312384 (E_RNA) where: Base-Base interactions energy: -84.112 where: short stacking energy: -44.483 Base-Backbone interact. energy: -0.630 local terms energy: -61.570496 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -11.553 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -11.756 tors. eta vs tors. theta energy: -12.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -139.670038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.670038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.670038 (E_RNA) where: Base-Base interactions energy: -84.665 where: short stacking energy: -40.464 Base-Backbone interact. energy: -0.717 local terms energy: -54.287865 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -5.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -79.755389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.755389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.755389 (E_RNA) where: Base-Base interactions energy: -28.025 where: short stacking energy: -21.592 Base-Backbone interact. energy: -0.168 local terms energy: -51.561773 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -17.964 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -81.416739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.416739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.416739 (E_RNA) where: Base-Base interactions energy: -25.862 where: short stacking energy: -19.657 Base-Backbone interact. energy: -0.859 local terms energy: -54.695503 where: bonds (distance) C4'-P energy: -16.342 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -220.957375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.957375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.957375 (E_RNA) where: Base-Base interactions energy: -144.000 where: short stacking energy: -69.467 Base-Backbone interact. energy: -0.548 local terms energy: -76.408999 where: bonds (distance) C4'-P energy: -16.048 bonds (distance) P-C4' energy: -15.596 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -13.121 tors. eta vs tors. theta energy: -16.003 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: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -195.561152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.561152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.561152 (E_RNA) where: Base-Base interactions energy: -128.313 where: short stacking energy: -47.122 Base-Backbone interact. energy: -0.316 local terms energy: -66.931837 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -18.196 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -11.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -186.941464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.941464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.941464 (E_RNA) where: Base-Base interactions energy: -111.390 where: short stacking energy: -63.725 Base-Backbone interact. energy: -0.077 local terms energy: -75.474038 where: bonds (distance) C4'-P energy: -15.907 bonds (distance) P-C4' energy: -18.240 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -17.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -164.096377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.096377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.096377 (E_RNA) where: Base-Base interactions energy: -97.455 where: short stacking energy: -54.423 Base-Backbone interact. energy: -0.103 local terms energy: -66.538315 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -10.921 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -11.128 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -165.699516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.699516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.699516 (E_RNA) where: Base-Base interactions energy: -93.685 where: short stacking energy: -48.414 Base-Backbone interact. energy: -0.199 local terms energy: -71.814949 where: bonds (distance) C4'-P energy: -17.407 bonds (distance) P-C4' energy: -17.517 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -12.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -153.051314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.051314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.051314 (E_RNA) where: Base-Base interactions energy: -93.569 where: short stacking energy: -54.717 Base-Backbone interact. energy: -0.014 local terms energy: -59.469130 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -13.899 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: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -140.699131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.699131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.699131 (E_RNA) where: Base-Base interactions energy: -83.327 where: short stacking energy: -39.964 Base-Backbone interact. energy: -0.016 local terms energy: -57.355503 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -7.353 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: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -149.457321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.457321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.457321 (E_RNA) where: Base-Base interactions energy: -94.794 where: short stacking energy: -50.580 Base-Backbone interact. energy: 0.372 local terms energy: -55.034763 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -15.606 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -7.981 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: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -82.278511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.278511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.278511 (E_RNA) where: Base-Base interactions energy: -30.833 where: short stacking energy: -30.833 Base-Backbone interact. energy: 0.805 local terms energy: -52.250900 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -10.935 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -82.732399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.732399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.732399 (E_RNA) where: Base-Base interactions energy: -26.596 where: short stacking energy: -26.596 Base-Backbone interact. energy: -0.090 local terms energy: -56.047119 where: bonds (distance) C4'-P energy: -11.750 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -8.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -213.595694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.595694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.595694 (E_RNA) where: Base-Base interactions energy: -147.612 where: short stacking energy: -66.735 Base-Backbone interact. energy: -0.347 local terms energy: -65.636537 where: bonds (distance) C4'-P energy: -17.035 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -12.813 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: 427 Temperature: 0.950000 Total energy: -209.443583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.443583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.443583 (E_RNA) where: Base-Base interactions energy: -139.492 where: short stacking energy: -57.977 Base-Backbone interact. energy: -0.436 local terms energy: -69.515744 where: bonds (distance) C4'-P energy: -17.079 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -17.869 flat angles P-C4'-P energy: -7.583 tors. eta vs tors. theta energy: -15.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -185.078643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.078643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.078643 (E_RNA) where: Base-Base interactions energy: -117.981 where: short stacking energy: -67.652 Base-Backbone interact. energy: -0.004 local terms energy: -67.093795 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -9.847 flat angles C4'-P-C4' energy: -16.224 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -176.609369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.609369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.609369 (E_RNA) where: Base-Base interactions energy: -101.151 where: short stacking energy: -57.497 Base-Backbone interact. energy: -0.146 local terms energy: -75.312008 where: bonds (distance) C4'-P energy: -15.071 bonds (distance) P-C4' energy: -13.266 flat angles C4'-P-C4' energy: -18.481 flat angles P-C4'-P energy: -13.431 tors. eta vs tors. theta energy: -15.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -172.681036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.681036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.681036 (E_RNA) where: Base-Base interactions energy: -108.781 where: short stacking energy: -69.043 Base-Backbone interact. energy: -0.041 local terms energy: -63.858845 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -16.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -172.267429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.267429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.267429 (E_RNA) where: Base-Base interactions energy: -104.169 where: short stacking energy: -61.444 Base-Backbone interact. energy: -0.006 local terms energy: -68.092688 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -14.087 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -142.517278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.517278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.517278 (E_RNA) where: Base-Base interactions energy: -87.400 where: short stacking energy: -41.977 Base-Backbone interact. energy: -0.197 local terms energy: -54.920229 where: bonds (distance) C4'-P energy: -16.333 bonds (distance) P-C4' energy: -11.723 flat angles C4'-P-C4' energy: -10.888 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -146.042028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.042028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.042028 (E_RNA) where: Base-Base interactions energy: -97.806 where: short stacking energy: -52.633 Base-Backbone interact. energy: 0.699 local terms energy: -48.934497 where: bonds (distance) C4'-P energy: -6.841 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -9.301 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -9.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -90.576158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.576158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.576158 (E_RNA) where: Base-Base interactions energy: -41.582 where: short stacking energy: -31.521 Base-Backbone interact. energy: -0.247 local terms energy: -48.746624 where: bonds (distance) C4'-P energy: -10.931 bonds (distance) P-C4' energy: -10.363 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -77.392785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.392785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.392785 (E_RNA) where: Base-Base interactions energy: -36.649 where: short stacking energy: -36.579 Base-Backbone interact. energy: -0.144 local terms energy: -40.600079 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -4.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -223.602589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.602589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.602589 (E_RNA) where: Base-Base interactions energy: -146.814 where: short stacking energy: -65.741 Base-Backbone interact. energy: -0.327 local terms energy: -76.461240 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -17.224 flat angles C4'-P-C4' energy: -16.823 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -19.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -188.060341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.060341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.060341 (E_RNA) where: Base-Base interactions energy: -115.321 where: short stacking energy: -71.678 Base-Backbone interact. energy: -0.072 local terms energy: -72.667596 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.811 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -17.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -172.908465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.908465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.908465 (E_RNA) where: Base-Base interactions energy: -106.832 where: short stacking energy: -58.665 Base-Backbone interact. energy: -0.131 local terms energy: -65.946226 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -16.954 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -177.549719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.549719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.549719 (E_RNA) where: Base-Base interactions energy: -112.328 where: short stacking energy: -61.347 Base-Backbone interact. energy: -0.199 local terms energy: -65.022706 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -17.506 flat angles P-C4'-P energy: -7.249 tors. eta vs tors. theta energy: -11.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -170.481159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.481159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.481159 (E_RNA) where: Base-Base interactions energy: -107.070 where: short stacking energy: -56.045 Base-Backbone interact. energy: -0.202 local terms energy: -63.209525 where: bonds (distance) C4'-P energy: -8.381 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -16.330 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -13.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -158.748876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.748876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.748876 (E_RNA) where: Base-Base interactions energy: -102.137 where: short stacking energy: -49.412 Base-Backbone interact. energy: 0.203 local terms energy: -56.814933 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -9.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -163.930465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.930465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.930465 (E_RNA) where: Base-Base interactions energy: -104.095 where: short stacking energy: -58.937 Base-Backbone interact. energy: -0.109 local terms energy: -59.726424 where: bonds (distance) C4'-P energy: -9.512 bonds (distance) P-C4' energy: -13.320 flat angles C4'-P-C4' energy: -11.749 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -14.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -94.601884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.601884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.601884 (E_RNA) where: Base-Base interactions energy: -36.254 where: short stacking energy: -33.166 Base-Backbone interact. energy: -0.010 local terms energy: -58.337936 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -84.753076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.753076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.753076 (E_RNA) where: Base-Base interactions energy: -31.545 where: short stacking energy: -31.545 Base-Backbone interact. energy: -0.056 local terms energy: -53.152320 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -81.403018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.403018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.403018 (E_RNA) where: Base-Base interactions energy: -32.963 where: short stacking energy: -26.740 Base-Backbone interact. energy: -0.110 local terms energy: -48.330149 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -15.921 flat angles C4'-P-C4' energy: -10.915 flat angles P-C4'-P energy: -11.104 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -218.444468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.444468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.444468 (E_RNA) where: Base-Base interactions energy: -142.849 where: short stacking energy: -67.436 Base-Backbone interact. energy: -0.652 local terms energy: -74.943112 where: bonds (distance) C4'-P energy: -15.459 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -18.238 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -15.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -190.161289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.161289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.161289 (E_RNA) where: Base-Base interactions energy: -114.370 where: short stacking energy: -68.702 Base-Backbone interact. energy: -0.029 local terms energy: -75.761951 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -14.696 flat angles P-C4'-P energy: -12.007 tors. eta vs tors. theta energy: -19.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -175.844417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.844417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.844417 (E_RNA) where: Base-Base interactions energy: -108.745 where: short stacking energy: -66.523 Base-Backbone interact. energy: -0.044 local terms energy: -67.056258 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -16.185 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -16.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -172.628396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.628396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.628396 (E_RNA) where: Base-Base interactions energy: -103.156 where: short stacking energy: -60.031 Base-Backbone interact. energy: -0.045 local terms energy: -69.427027 where: bonds (distance) C4'-P energy: -10.493 bonds (distance) P-C4' energy: -15.000 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -13.657 tors. eta vs tors. theta energy: -17.417 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: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -166.455315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.455315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.455315 (E_RNA) where: Base-Base interactions energy: -102.753 where: short stacking energy: -54.513 Base-Backbone interact. energy: -0.098 local terms energy: -63.603389 where: bonds (distance) C4'-P energy: -16.686 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -12.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -146.169348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.169348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.169348 (E_RNA) where: Base-Base interactions energy: -87.358 where: short stacking energy: -42.276 Base-Backbone interact. energy: -0.238 local terms energy: -58.573274 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -8.542 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: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -152.939661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.939661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.939661 (E_RNA) where: Base-Base interactions energy: -92.760 where: short stacking energy: -45.152 Base-Backbone interact. energy: -0.126 local terms energy: -60.053398 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -96.553756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.553756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.553756 (E_RNA) where: Base-Base interactions energy: -37.348 where: short stacking energy: -37.190 Base-Backbone interact. energy: 0.254 local terms energy: -59.460413 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -11.090 flat angles C4'-P-C4' energy: -17.791 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -87.882713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.882713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.882713 (E_RNA) where: Base-Base interactions energy: -29.810 where: short stacking energy: -29.810 Base-Backbone interact. energy: -0.091 local terms energy: -57.982499 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -11.938 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -80.406171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.406171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.406171 (E_RNA) where: Base-Base interactions energy: -36.032 where: short stacking energy: -30.032 Base-Backbone interact. energy: -0.785 local terms energy: -43.589151 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -1.167 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: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -223.795379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.795379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.795379 (E_RNA) where: Base-Base interactions energy: -143.426 where: short stacking energy: -68.452 Base-Backbone interact. energy: -0.011 local terms energy: -80.358111 where: bonds (distance) C4'-P energy: -16.992 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -17.272 flat angles P-C4'-P energy: -14.417 tors. eta vs tors. theta energy: -17.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -183.213335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.213335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.213335 (E_RNA) where: Base-Base interactions energy: -112.620 where: short stacking energy: -64.324 Base-Backbone interact. energy: -0.023 local terms energy: -70.570172 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -12.317 flat angles P-C4'-P energy: -12.532 tors. eta vs tors. theta energy: -15.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -175.197219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.197219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.197219 (E_RNA) where: Base-Base interactions energy: -110.106 where: short stacking energy: -56.018 Base-Backbone interact. energy: -0.098 local terms energy: -64.992624 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -17.277 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -10.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -164.125029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.125029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.125029 (E_RNA) where: Base-Base interactions energy: -102.749 where: short stacking energy: -59.227 Base-Backbone interact. energy: 0.016 local terms energy: -61.391771 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -17.611 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -11.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -161.266108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.266108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.266108 (E_RNA) where: Base-Base interactions energy: -93.550 where: short stacking energy: -49.080 Base-Backbone interact. energy: -0.200 local terms energy: -67.516031 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -13.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -165.006799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.006799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.006799 (E_RNA) where: Base-Base interactions energy: -99.267 where: short stacking energy: -54.594 Base-Backbone interact. energy: -0.444 local terms energy: -65.295997 where: bonds (distance) C4'-P energy: -15.713 bonds (distance) P-C4' energy: -13.734 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -10.083 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: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -160.611625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.611625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.611625 (E_RNA) where: Base-Base interactions energy: -103.706 where: short stacking energy: -56.540 Base-Backbone interact. energy: 1.143 local terms energy: -58.048905 where: bonds (distance) C4'-P energy: -16.356 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -13.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -109.329450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.329450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.329450 (E_RNA) where: Base-Base interactions energy: -58.001 where: short stacking energy: -35.388 Base-Backbone interact. energy: 0.812 local terms energy: -52.140655 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -14.721 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -91.858861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.858861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.858861 (E_RNA) where: Base-Base interactions energy: -43.318 where: short stacking energy: -25.106 Base-Backbone interact. energy: 0.465 local terms energy: -49.005553 where: bonds (distance) C4'-P energy: -16.897 bonds (distance) P-C4' energy: -9.067 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -83.948167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.948167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.948167 (E_RNA) where: Base-Base interactions energy: -33.145 where: short stacking energy: -23.507 Base-Backbone interact. energy: -0.473 local terms energy: -50.330049 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -11.371 tors. eta vs tors. theta energy: -2.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -223.049043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.049043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.049043 (E_RNA) where: Base-Base interactions energy: -147.535 where: short stacking energy: -69.501 Base-Backbone interact. energy: -0.436 local terms energy: -75.077929 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -13.541 flat angles C4'-P-C4' energy: -16.198 flat angles P-C4'-P energy: -11.984 tors. eta vs tors. theta energy: -19.542 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: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -176.094659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.094659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.094659 (E_RNA) where: Base-Base interactions energy: -105.483 where: short stacking energy: -59.223 Base-Backbone interact. energy: -0.021 local terms energy: -70.590459 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -16.698 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -177.924303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.924303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.924303 (E_RNA) where: Base-Base interactions energy: -103.989 where: short stacking energy: -52.432 Base-Backbone interact. energy: -0.092 local terms energy: -73.843370 where: bonds (distance) C4'-P energy: -16.983 bonds (distance) P-C4' energy: -17.129 flat angles C4'-P-C4' energy: -16.573 flat angles P-C4'-P energy: -12.977 tors. eta vs tors. theta energy: -10.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -156.293931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.293931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.293931 (E_RNA) where: Base-Base interactions energy: -91.169 where: short stacking energy: -41.687 Base-Backbone interact. energy: -0.041 local terms energy: -65.083080 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -15.337 flat angles P-C4'-P energy: -14.308 tors. eta vs tors. theta energy: -6.944 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: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -170.662724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.662724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.662724 (E_RNA) where: Base-Base interactions energy: -111.870 where: short stacking energy: -44.779 Base-Backbone interact. energy: -0.619 local terms energy: -58.174267 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -7.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -150.909408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.909408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.909408 (E_RNA) where: Base-Base interactions energy: -86.221 where: short stacking energy: -42.054 Base-Backbone interact. energy: -0.006 local terms energy: -64.682303 where: bonds (distance) C4'-P energy: -16.205 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -8.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -150.212882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.212882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.212882 (E_RNA) where: Base-Base interactions energy: -90.773 where: short stacking energy: -47.654 Base-Backbone interact. energy: -0.336 local terms energy: -59.103543 where: bonds (distance) C4'-P energy: -17.639 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -12.467 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -93.723256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.723256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.723256 (E_RNA) where: Base-Base interactions energy: -33.283 where: short stacking energy: -32.135 Base-Backbone interact. energy: -0.113 local terms energy: -60.327715 where: bonds (distance) C4'-P energy: -10.199 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -15.869 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -10.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -83.376471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.376471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.376471 (E_RNA) where: Base-Base interactions energy: -30.724 where: short stacking energy: -24.866 Base-Backbone interact. energy: -0.209 local terms energy: -52.443970 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -73.545949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.545949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.545949 (E_RNA) where: Base-Base interactions energy: -27.185 where: short stacking energy: -25.110 Base-Backbone interact. energy: -0.031 local terms energy: -46.330690 where: bonds (distance) C4'-P energy: -15.754 bonds (distance) P-C4' energy: -16.025 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: 2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -230.382183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.382183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.382183 (E_RNA) where: Base-Base interactions energy: -161.156 where: short stacking energy: -72.658 Base-Backbone interact. energy: -0.474 local terms energy: -68.751921 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -17.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -188.114394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.114394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.114394 (E_RNA) where: Base-Base interactions energy: -112.783 where: short stacking energy: -71.446 Base-Backbone interact. energy: -0.027 local terms energy: -75.304452 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -17.995 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -20.141 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: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -168.774464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.774464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.774464 (E_RNA) where: Base-Base interactions energy: -105.445 where: short stacking energy: -61.074 Base-Backbone interact. energy: 0.206 local terms energy: -63.535349 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -168.576471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.576471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.576471 (E_RNA) where: Base-Base interactions energy: -109.290 where: short stacking energy: -46.513 Base-Backbone interact. energy: -0.140 local terms energy: -59.146677 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -156.592577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.592577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.592577 (E_RNA) where: Base-Base interactions energy: -92.242 where: short stacking energy: -43.807 Base-Backbone interact. energy: 1.465 local terms energy: -65.815726 where: bonds (distance) C4'-P energy: -14.558 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -10.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -181.405838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.405838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.405838 (E_RNA) where: Base-Base interactions energy: -121.425 where: short stacking energy: -40.797 Base-Backbone interact. energy: -0.410 local terms energy: -59.571300 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -17.230 flat angles C4'-P-C4' energy: -10.489 flat angles P-C4'-P energy: -11.193 tors. eta vs tors. theta energy: -8.249 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: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -159.055823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.055823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.055823 (E_RNA) where: Base-Base interactions energy: -92.271 where: short stacking energy: -47.628 Base-Backbone interact. energy: -0.871 local terms energy: -65.913852 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -17.401 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -134.301293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.301293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.301293 (E_RNA) where: Base-Base interactions energy: -84.197 where: short stacking energy: -35.039 Base-Backbone interact. energy: -0.730 local terms energy: -49.374145 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -12.967 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -6.082 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: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -86.827824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.827824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.827824 (E_RNA) where: Base-Base interactions energy: -31.771 where: short stacking energy: -31.435 Base-Backbone interact. energy: -0.104 local terms energy: -54.952505 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -17.372 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -76.578833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.578833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.578833 (E_RNA) where: Base-Base interactions energy: -38.771 where: short stacking energy: -23.428 Base-Backbone interact. energy: -0.223 local terms energy: -37.584401 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -10.570 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: 5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -227.534862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.534862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.534862 (E_RNA) where: Base-Base interactions energy: -157.277 where: short stacking energy: -65.099 Base-Backbone interact. energy: -0.636 local terms energy: -69.621808 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -13.315 tors. eta vs tors. theta energy: -15.506 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: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -198.254790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.254790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.254790 (E_RNA) where: Base-Base interactions energy: -132.344 where: short stacking energy: -61.386 Base-Backbone interact. energy: -0.109 local terms energy: -65.801850 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -10.135 tors. eta vs tors. theta energy: -16.298 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: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -174.519357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.519357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.519357 (E_RNA) where: Base-Base interactions energy: -102.465 where: short stacking energy: -59.565 Base-Backbone interact. energy: -0.009 local terms energy: -72.044762 where: bonds (distance) C4'-P energy: -17.577 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -13.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -175.029360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.029360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.029360 (E_RNA) where: Base-Base interactions energy: -103.042 where: short stacking energy: -60.152 Base-Backbone interact. energy: 0.546 local terms energy: -72.532851 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -18.390 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -17.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -164.717958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.717958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.717958 (E_RNA) where: Base-Base interactions energy: -102.424 where: short stacking energy: -59.071 Base-Backbone interact. energy: -0.765 local terms energy: -61.529195 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -12.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -160.382766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.382766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.382766 (E_RNA) where: Base-Base interactions energy: -97.674 where: short stacking energy: -51.110 Base-Backbone interact. energy: -0.005 local terms energy: -62.704250 where: bonds (distance) C4'-P energy: -11.312 bonds (distance) P-C4' energy: -14.140 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -13.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -151.789735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.789735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.789735 (E_RNA) where: Base-Base interactions energy: -97.622 where: short stacking energy: -51.042 Base-Backbone interact. energy: -0.093 local terms energy: -54.075413 where: bonds (distance) C4'-P energy: -9.868 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -11.017 flat angles P-C4'-P energy: -7.726 tors. eta vs tors. theta energy: -10.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -81.762382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.762382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.762382 (E_RNA) where: Base-Base interactions energy: -30.903 where: short stacking energy: -20.652 Base-Backbone interact. energy: -0.149 local terms energy: -50.711323 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -142.169323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.169323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.169323 (E_RNA) where: Base-Base interactions energy: -91.194 where: short stacking energy: -52.718 Base-Backbone interact. energy: -0.095 local terms energy: -50.880145 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -7.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -75.445952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.445952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.445952 (E_RNA) where: Base-Base interactions energy: -35.305 where: short stacking energy: -32.803 Base-Backbone interact. energy: 1.822 local terms energy: -41.963086 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -221.255980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.255980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.255980 (E_RNA) where: Base-Base interactions energy: -144.349 where: short stacking energy: -68.653 Base-Backbone interact. energy: -0.574 local terms energy: -76.333304 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -11.938 tors. eta vs tors. theta energy: -18.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -189.114007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.114007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.114007 (E_RNA) where: Base-Base interactions energy: -116.976 where: short stacking energy: -57.397 Base-Backbone interact. energy: -0.074 local terms energy: -72.064447 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -16.413 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -13.810 tors. eta vs tors. theta energy: -11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -181.293312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.293312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.293312 (E_RNA) where: Base-Base interactions energy: -110.721 where: short stacking energy: -62.922 Base-Backbone interact. energy: -0.001 local terms energy: -70.570809 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -17.253 flat angles P-C4'-P energy: -11.342 tors. eta vs tors. theta energy: -17.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -171.068562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.068562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.068562 (E_RNA) where: Base-Base interactions energy: -102.924 where: short stacking energy: -61.158 Base-Backbone interact. energy: -0.002 local terms energy: -68.142738 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -17.556 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -15.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -154.772369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.772369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.772369 (E_RNA) where: Base-Base interactions energy: -90.418 where: short stacking energy: -45.105 Base-Backbone interact. energy: -0.344 local terms energy: -64.011187 where: bonds (distance) C4'-P energy: -15.527 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -13.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -148.693375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.693375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.693375 (E_RNA) where: Base-Base interactions energy: -84.201 where: short stacking energy: -43.091 Base-Backbone interact. energy: -0.765 local terms energy: -63.727688 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -16.197 flat angles P-C4'-P energy: -12.515 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -150.838536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.838536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.838536 (E_RNA) where: Base-Base interactions energy: -100.162 where: short stacking energy: -48.673 Base-Backbone interact. energy: -0.036 local terms energy: -50.641133 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -12.460 flat angles C4'-P-C4' energy: -9.034 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -11.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -98.890477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.890477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.890477 (E_RNA) where: Base-Base interactions energy: -58.698 where: short stacking energy: -25.381 Base-Backbone interact. energy: -0.224 local terms energy: -39.968167 where: bonds (distance) C4'-P energy: -9.570 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: 4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -150.347361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.347361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.347361 (E_RNA) where: Base-Base interactions energy: -90.127 where: short stacking energy: -44.654 Base-Backbone interact. energy: -0.116 local terms energy: -60.104452 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -10.454 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: 2 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -79.195264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.195264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.195264 (E_RNA) where: Base-Base interactions energy: -33.603 where: short stacking energy: -32.933 Base-Backbone interact. energy: -0.312 local terms energy: -45.280811 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -16.482 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -225.238321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.238321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.238321 (E_RNA) where: Base-Base interactions energy: -147.857 where: short stacking energy: -70.743 Base-Backbone interact. energy: -1.249 local terms energy: -76.131711 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -15.870 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -17.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -180.593434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.593434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.593434 (E_RNA) where: Base-Base interactions energy: -107.507 where: short stacking energy: -59.025 Base-Backbone interact. energy: -0.035 local terms energy: -73.051815 where: bonds (distance) C4'-P energy: -17.469 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -12.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -180.703355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.703355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.703355 (E_RNA) where: Base-Base interactions energy: -108.130 where: short stacking energy: -51.008 Base-Backbone interact. energy: -0.806 local terms energy: -71.767104 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -17.584 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -174.495491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.495491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.495491 (E_RNA) where: Base-Base interactions energy: -109.239 where: short stacking energy: -53.386 Base-Backbone interact. energy: -0.625 local terms energy: -64.631427 where: bonds (distance) C4'-P energy: -15.298 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -166.982692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.982692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.982692 (E_RNA) where: Base-Base interactions energy: -102.419 where: short stacking energy: -55.126 Base-Backbone interact. energy: -0.181 local terms energy: -64.383183 where: bonds (distance) C4'-P energy: -9.199 bonds (distance) P-C4' energy: -16.713 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -10.872 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -162.201781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.201781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.201781 (E_RNA) where: Base-Base interactions energy: -97.806 where: short stacking energy: -58.831 Base-Backbone interact. energy: -0.051 local terms energy: -64.345309 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -15.822 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -12.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -140.577390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.577390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.577390 (E_RNA) where: Base-Base interactions energy: -83.731 where: short stacking energy: -51.178 Base-Backbone interact. energy: -0.565 local terms energy: -56.281980 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -14.969 flat angles C4'-P-C4' energy: -8.899 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -12.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -158.473955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.473955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.473955 (E_RNA) where: Base-Base interactions energy: -104.337 where: short stacking energy: -53.536 Base-Backbone interact. energy: -0.344 local terms energy: -53.792739 where: bonds (distance) C4'-P energy: -11.859 bonds (distance) P-C4' energy: -12.344 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -10.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -85.041484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.041484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.041484 (E_RNA) where: Base-Base interactions energy: -38.746 where: short stacking energy: -38.746 Base-Backbone interact. energy: -0.133 local terms energy: -46.162782 where: bonds (distance) C4'-P energy: -17.212 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -84.612544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.612544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.612544 (E_RNA) where: Base-Base interactions energy: -29.448 where: short stacking energy: -27.071 Base-Backbone interact. energy: -0.183 local terms energy: -54.981439 where: bonds (distance) C4'-P energy: -13.619 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -4.543 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: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -225.787180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.787180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.787180 (E_RNA) where: Base-Base interactions energy: -154.805 where: short stacking energy: -69.175 Base-Backbone interact. energy: -0.421 local terms energy: -70.561914 where: bonds (distance) C4'-P energy: -14.231 bonds (distance) P-C4' energy: -17.502 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -16.076 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: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -179.868014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.868014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.868014 (E_RNA) where: Base-Base interactions energy: -106.825 where: short stacking energy: -65.358 Base-Backbone interact. energy: -0.001 local terms energy: -73.042605 where: bonds (distance) C4'-P energy: -16.115 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -17.056 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -15.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -167.754717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.754717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.754717 (E_RNA) where: Base-Base interactions energy: -97.652 where: short stacking energy: -45.354 Base-Backbone interact. energy: 0.026 local terms energy: -70.129244 where: bonds (distance) C4'-P energy: -18.288 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -7.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -176.806546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.806546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.806546 (E_RNA) where: Base-Base interactions energy: -116.093 where: short stacking energy: -52.750 Base-Backbone interact. energy: 1.763 local terms energy: -62.475987 where: bonds (distance) C4'-P energy: -16.260 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -13.810 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: 10 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -165.865706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.865706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.865706 (E_RNA) where: Base-Base interactions energy: -98.335 where: short stacking energy: -48.818 Base-Backbone interact. energy: -0.338 local terms energy: -67.192244 where: bonds (distance) C4'-P energy: -17.071 bonds (distance) P-C4' energy: -13.704 flat angles C4'-P-C4' energy: -17.066 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -162.524553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.524553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.524553 (E_RNA) where: Base-Base interactions energy: -98.852 where: short stacking energy: -52.710 Base-Backbone interact. energy: -0.138 local terms energy: -63.534722 where: bonds (distance) C4'-P energy: -17.870 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -10.118 flat angles P-C4'-P energy: -12.098 tors. eta vs tors. theta energy: -11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -161.150513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.150513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.150513 (E_RNA) where: Base-Base interactions energy: -100.315 where: short stacking energy: -46.594 Base-Backbone interact. energy: -0.063 local terms energy: -60.772368 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -16.146 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -10.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -141.377109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.377109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.377109 (E_RNA) where: Base-Base interactions energy: -84.518 where: short stacking energy: -39.642 Base-Backbone interact. energy: -0.309 local terms energy: -56.550560 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -14.086 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -74.768020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.768020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.768020 (E_RNA) where: Base-Base interactions energy: -29.195 where: short stacking energy: -27.032 Base-Backbone interact. energy: -0.059 local terms energy: -45.514539 where: bonds (distance) C4'-P energy: -12.111 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -5.070 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: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -74.493112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.493112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.493112 (E_RNA) where: Base-Base interactions energy: -31.590 where: short stacking energy: -16.428 Base-Backbone interact. energy: -0.258 local terms energy: -42.645087 where: bonds (distance) C4'-P energy: -14.723 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -11.167 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: 2.594 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: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -231.386565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.386565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.386565 (E_RNA) where: Base-Base interactions energy: -157.562 where: short stacking energy: -71.682 Base-Backbone interact. energy: -0.600 local terms energy: -73.225332 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -17.179 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -15.270 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: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -178.547742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.547742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.547742 (E_RNA) where: Base-Base interactions energy: -105.880 where: short stacking energy: -60.010 Base-Backbone interact. energy: -0.139 local terms energy: -72.528634 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -16.807 flat angles P-C4'-P energy: -12.731 tors. eta vs tors. theta energy: -13.425 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: 6 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -168.396975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.396975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.396975 (E_RNA) where: Base-Base interactions energy: -102.812 where: short stacking energy: -51.710 Base-Backbone interact. energy: -0.108 local terms energy: -65.477346 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -13.602 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -15.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -184.932534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.932534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.932534 (E_RNA) where: Base-Base interactions energy: -113.752 where: short stacking energy: -45.229 Base-Backbone interact. energy: -0.222 local terms energy: -70.959048 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -18.458 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -12.864 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -154.734770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.734770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.734770 (E_RNA) where: Base-Base interactions energy: -88.790 where: short stacking energy: -47.200 Base-Backbone interact. energy: 0.600 local terms energy: -66.544104 where: bonds (distance) C4'-P energy: -14.223 bonds (distance) P-C4' energy: -13.185 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -13.907 tors. eta vs tors. theta energy: -12.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -160.110458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.110458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.110458 (E_RNA) where: Base-Base interactions energy: -96.375 where: short stacking energy: -47.607 Base-Backbone interact. energy: 0.579 local terms energy: -64.313913 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -16.978 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -142.912128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.912128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.912128 (E_RNA) where: Base-Base interactions energy: -84.678 where: short stacking energy: -41.245 Base-Backbone interact. energy: -0.245 local terms energy: -57.988608 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -9.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -96.921300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.921300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.921300 (E_RNA) where: Base-Base interactions energy: -43.899 where: short stacking energy: -30.683 Base-Backbone interact. energy: -0.092 local terms energy: -52.929611 where: bonds (distance) C4'-P energy: -14.339 bonds (distance) P-C4' energy: -15.292 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -152.340318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.340318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.340318 (E_RNA) where: Base-Base interactions energy: -89.554 where: short stacking energy: -46.169 Base-Backbone interact. energy: -0.043 local terms energy: -62.743098 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -12.683 tors. eta vs tors. theta energy: -10.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -81.084381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.084381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.084381 (E_RNA) where: Base-Base interactions energy: -27.980 where: short stacking energy: -27.950 Base-Backbone interact. energy: -0.114 local terms energy: -52.991045 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -225.750007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.750007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.750007 (E_RNA) where: Base-Base interactions energy: -151.923 where: short stacking energy: -67.507 Base-Backbone interact. energy: 0.076 local terms energy: -73.903502 where: bonds (distance) C4'-P energy: -17.353 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -18.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -173.437555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.437555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.437555 (E_RNA) where: Base-Base interactions energy: -107.787 where: short stacking energy: -61.710 Base-Backbone interact. energy: -0.064 local terms energy: -65.586416 where: bonds (distance) C4'-P energy: -15.407 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -15.526 flat angles P-C4'-P energy: -6.710 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -172.198963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.198963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.198963 (E_RNA) where: Base-Base interactions energy: -110.050 where: short stacking energy: -56.955 Base-Backbone interact. energy: -0.100 local terms energy: -62.048552 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -16.817 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -14.133 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: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -175.314963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.314963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.314963 (E_RNA) where: Base-Base interactions energy: -108.924 where: short stacking energy: -66.623 Base-Backbone interact. energy: -0.324 local terms energy: -66.067322 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -16.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -165.464563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.464563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.464563 (E_RNA) where: Base-Base interactions energy: -96.632 where: short stacking energy: -46.230 Base-Backbone interact. energy: -0.572 local terms energy: -68.261197 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -17.981 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -11.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -161.614761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.614761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.614761 (E_RNA) where: Base-Base interactions energy: -88.414 where: short stacking energy: -56.404 Base-Backbone interact. energy: -0.041 local terms energy: -73.159542 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -151.661698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.661698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.661698 (E_RNA) where: Base-Base interactions energy: -97.075 where: short stacking energy: -56.617 Base-Backbone interact. energy: -0.062 local terms energy: -54.524680 where: bonds (distance) C4'-P energy: -11.166 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -10.855 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -92.409055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.409055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.409055 (E_RNA) where: Base-Base interactions energy: -42.949 where: short stacking energy: -32.326 Base-Backbone interact. energy: -0.062 local terms energy: -49.398265 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -13.596 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -146.497414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.497414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.497414 (E_RNA) where: Base-Base interactions energy: -94.341 where: short stacking energy: -35.137 Base-Backbone interact. energy: -0.524 local terms energy: -51.632452 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -3.457 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: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -82.262047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.262047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.262047 (E_RNA) where: Base-Base interactions energy: -28.173 where: short stacking energy: -14.486 Base-Backbone interact. energy: -0.225 local terms energy: -53.863804 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -9.616 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -211.604267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.604267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.604267 (E_RNA) where: Base-Base interactions energy: -140.881 where: short stacking energy: -64.829 Base-Backbone interact. energy: -0.529 local terms energy: -70.193565 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -16.258 flat angles P-C4'-P energy: -12.942 tors. eta vs tors. theta energy: -14.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -170.424789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.424789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.424789 (E_RNA) where: Base-Base interactions energy: -103.670 where: short stacking energy: -56.789 Base-Backbone interact. energy: -0.137 local terms energy: -66.618336 where: bonds (distance) C4'-P energy: -15.444 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -13.641 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: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -170.563358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.563358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.563358 (E_RNA) where: Base-Base interactions energy: -108.725 where: short stacking energy: -45.534 Base-Backbone interact. energy: -0.125 local terms energy: -61.713323 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -172.812024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.812024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.812024 (E_RNA) where: Base-Base interactions energy: -105.974 where: short stacking energy: -66.734 Base-Backbone interact. energy: -0.292 local terms energy: -66.545612 where: bonds (distance) C4'-P energy: -14.801 bonds (distance) P-C4' energy: -12.776 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -160.633349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.633349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.633349 (E_RNA) where: Base-Base interactions energy: -90.686 where: short stacking energy: -50.118 Base-Backbone interact. energy: -0.040 local terms energy: -69.907257 where: bonds (distance) C4'-P energy: -15.100 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -16.152 flat angles P-C4'-P energy: -12.594 tors. eta vs tors. theta energy: -11.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -155.715380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.715380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.715380 (E_RNA) where: Base-Base interactions energy: -94.005 where: short stacking energy: -59.209 Base-Backbone interact. energy: -0.071 local terms energy: -61.639020 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -8.300 tors. eta vs tors. theta energy: -15.391 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: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -156.310251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.310251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.310251 (E_RNA) where: Base-Base interactions energy: -91.779 where: short stacking energy: -49.106 Base-Backbone interact. energy: -0.908 local terms energy: -63.623538 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -13.300 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: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -147.095878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.095878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.095878 (E_RNA) where: Base-Base interactions energy: -93.421 where: short stacking energy: -45.175 Base-Backbone interact. energy: -0.168 local terms energy: -53.507331 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -9.268 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: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -89.574449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.574449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.574449 (E_RNA) where: Base-Base interactions energy: -39.052 where: short stacking energy: -28.511 Base-Backbone interact. energy: 0.182 local terms energy: -50.704491 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -11.074 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -81.663001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.663001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.663001 (E_RNA) where: Base-Base interactions energy: -30.625 where: short stacking energy: -30.215 Base-Backbone interact. energy: -0.253 local terms energy: -50.785551 where: bonds (distance) C4'-P energy: -15.514 bonds (distance) P-C4' energy: -12.030 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -189.238005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.238005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.238005 (E_RNA) where: Base-Base interactions energy: -114.438 where: short stacking energy: -70.326 Base-Backbone interact. energy: -0.000 local terms energy: -74.800366 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -19.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -213.830048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.830048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.830048 (E_RNA) where: Base-Base interactions energy: -141.121 where: short stacking energy: -68.012 Base-Backbone interact. energy: -0.284 local terms energy: -72.425659 where: bonds (distance) C4'-P energy: -18.126 bonds (distance) P-C4' energy: -15.145 flat angles C4'-P-C4' energy: -9.689 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -18.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -171.890228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.890228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.890228 (E_RNA) where: Base-Base interactions energy: -102.823 where: short stacking energy: -46.790 Base-Backbone interact. energy: -0.738 local terms energy: -68.329170 where: bonds (distance) C4'-P energy: -14.923 bonds (distance) P-C4' energy: -17.206 flat angles C4'-P-C4' energy: -11.696 flat angles P-C4'-P energy: -11.956 tors. eta vs tors. theta energy: -12.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -171.491621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.491621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.491621 (E_RNA) where: Base-Base interactions energy: -102.497 where: short stacking energy: -60.954 Base-Backbone interact. energy: -0.046 local terms energy: -68.948430 where: bonds (distance) C4'-P energy: -15.638 bonds (distance) P-C4' energy: -8.931 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -17.830 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: 440 Temperature: 1.100000 Total energy: -168.005463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.005463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.005463 (E_RNA) where: Base-Base interactions energy: -104.019 where: short stacking energy: -55.301 Base-Backbone interact. energy: -0.059 local terms energy: -63.928128 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -12.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -157.451241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.451241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.451241 (E_RNA) where: Base-Base interactions energy: -96.123 where: short stacking energy: -51.162 Base-Backbone interact. energy: 0.081 local terms energy: -61.409055 where: bonds (distance) C4'-P energy: -16.720 bonds (distance) P-C4' energy: -10.558 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -15.067 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: 7, replica: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -152.696052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.696052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.696052 (E_RNA) where: Base-Base interactions energy: -90.155 where: short stacking energy: -51.360 Base-Backbone interact. energy: 0.827 local terms energy: -63.367719 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -10.946 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -12.723 tors. eta vs tors. theta energy: -15.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -139.187476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.187476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.187476 (E_RNA) where: Base-Base interactions energy: -86.725 where: short stacking energy: -47.004 Base-Backbone interact. energy: -0.109 local terms energy: -52.353178 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -13.078 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -81.422394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.422394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.422394 (E_RNA) where: Base-Base interactions energy: -36.916 where: short stacking energy: -34.994 Base-Backbone interact. energy: -0.143 local terms energy: -44.362587 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -10.447 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -5.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -76.427143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.427143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.427143 (E_RNA) where: Base-Base interactions energy: -37.967 where: short stacking energy: -28.606 Base-Backbone interact. energy: -0.224 local terms energy: -38.236129 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -9.159 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -178.151599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.151599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.151599 (E_RNA) where: Base-Base interactions energy: -101.028 where: short stacking energy: -60.812 Base-Backbone interact. energy: -0.089 local terms energy: -77.034709 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -17.902 flat angles P-C4'-P energy: -13.101 tors. eta vs tors. theta energy: -16.204 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: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -216.910041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.910041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.910041 (E_RNA) where: Base-Base interactions energy: -148.604 where: short stacking energy: -68.699 Base-Backbone interact. energy: -0.441 local terms energy: -67.865225 where: bonds (distance) C4'-P energy: -15.465 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -15.968 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: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -171.728481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.728481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.728481 (E_RNA) where: Base-Base interactions energy: -106.885 where: short stacking energy: -56.384 Base-Backbone interact. energy: -0.366 local terms energy: -64.477985 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -16.603 flat angles P-C4'-P energy: -11.386 tors. eta vs tors. theta energy: -14.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -166.927999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.927999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.927999 (E_RNA) where: Base-Base interactions energy: -101.537 where: short stacking energy: -44.987 Base-Backbone interact. energy: -0.631 local terms energy: -64.760186 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -10.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -163.856810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.856810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.856810 (E_RNA) where: Base-Base interactions energy: -101.446 where: short stacking energy: -47.668 Base-Backbone interact. energy: -0.165 local terms energy: -62.245262 where: bonds (distance) C4'-P energy: -15.216 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -10.081 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: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -149.302288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.302288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.302288 (E_RNA) where: Base-Base interactions energy: -85.877 where: short stacking energy: -46.171 Base-Backbone interact. energy: -0.908 local terms energy: -62.516925 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -17.065 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -8.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -146.038617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.038617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.038617 (E_RNA) where: Base-Base interactions energy: -93.153 where: short stacking energy: -49.991 Base-Backbone interact. energy: 3.357 local terms energy: -56.242236 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -7.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -137.676043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.676043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.676043 (E_RNA) where: Base-Base interactions energy: -91.765 where: short stacking energy: -38.373 Base-Backbone interact. energy: -0.333 local terms energy: -45.578145 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -6.503 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -90.769146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.769146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.769146 (E_RNA) where: Base-Base interactions energy: -35.584 where: short stacking energy: -32.581 Base-Backbone interact. energy: -0.310 local terms energy: -54.875485 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: -7.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -133.189783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.189783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.189783 (E_RNA) where: Base-Base interactions energy: -84.242 where: short stacking energy: -49.496 Base-Backbone interact. energy: -0.382 local terms energy: -48.565610 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -12.543 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -11.502 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -225.889592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.889592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.889592 (E_RNA) where: Base-Base interactions energy: -151.318 where: short stacking energy: -74.414 Base-Backbone interact. energy: -0.390 local terms energy: -74.181632 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -15.527 flat angles P-C4'-P energy: -10.276 tors. eta vs tors. theta energy: -20.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -180.485998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.485998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.485998 (E_RNA) where: Base-Base interactions energy: -116.460 where: short stacking energy: -51.512 Base-Backbone interact. energy: -0.585 local terms energy: -63.440487 where: bonds (distance) C4'-P energy: -15.754 bonds (distance) P-C4' energy: -14.590 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -8.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -179.534468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.534468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.534468 (E_RNA) where: Base-Base interactions energy: -107.372 where: short stacking energy: -43.716 Base-Backbone interact. energy: -0.143 local terms energy: -72.019688 where: bonds (distance) C4'-P energy: -14.451 bonds (distance) P-C4' energy: -17.212 flat angles C4'-P-C4' energy: -17.848 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -12.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -169.961361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.961361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.961361 (E_RNA) where: Base-Base interactions energy: -98.740 where: short stacking energy: -55.529 Base-Backbone interact. energy: -0.169 local terms energy: -71.052645 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -15.098 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -161.810330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.810330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.810330 (E_RNA) where: Base-Base interactions energy: -96.859 where: short stacking energy: -60.233 Base-Backbone interact. energy: -0.001 local terms energy: -64.950701 where: bonds (distance) C4'-P energy: -17.034 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -12.794 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: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -152.287085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.287085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.287085 (E_RNA) where: Base-Base interactions energy: -95.987 where: short stacking energy: -48.960 Base-Backbone interact. energy: -0.350 local terms energy: -55.949758 where: bonds (distance) C4'-P energy: -15.117 bonds (distance) P-C4' energy: -14.000 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -8.001 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -160.629272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.629272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.629272 (E_RNA) where: Base-Base interactions energy: -95.691 where: short stacking energy: -48.331 Base-Backbone interact. energy: -0.175 local terms energy: -64.763093 where: bonds (distance) C4'-P energy: -15.410 bonds (distance) P-C4' energy: -12.437 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -13.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -136.500923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.500923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.500923 (E_RNA) where: Base-Base interactions energy: -79.124 where: short stacking energy: -36.646 Base-Backbone interact. energy: -0.425 local terms energy: -56.952194 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -10.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -134.135718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.135718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.135718 (E_RNA) where: Base-Base interactions energy: -78.049 where: short stacking energy: -29.671 Base-Backbone interact. energy: -0.575 local terms energy: -55.511953 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -16.516 flat angles C4'-P-C4' energy: -9.066 flat angles P-C4'-P energy: -13.739 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -82.999026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.999026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.999026 (E_RNA) where: Base-Base interactions energy: -32.818 where: short stacking energy: -32.818 Base-Backbone interact. energy: 0.053 local terms energy: -50.234161 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -14.720 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -5.524 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: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -230.042312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.042312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.042312 (E_RNA) where: Base-Base interactions energy: -150.963 where: short stacking energy: -68.899 Base-Backbone interact. energy: -0.462 local terms energy: -78.617233 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -17.196 flat angles C4'-P-C4' energy: -16.880 flat angles P-C4'-P energy: -13.324 tors. eta vs tors. theta energy: -21.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -188.979614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.979614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.979614 (E_RNA) where: Base-Base interactions energy: -124.195 where: short stacking energy: -52.260 Base-Backbone interact. energy: -1.289 local terms energy: -63.495588 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -11.568 flat angles C4'-P-C4' energy: -16.021 flat angles P-C4'-P energy: -13.105 tors. eta vs tors. theta energy: -8.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -181.995681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.995681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.995681 (E_RNA) where: Base-Base interactions energy: -108.675 where: short stacking energy: -62.711 Base-Backbone interact. energy: -0.055 local terms energy: -73.265399 where: bonds (distance) C4'-P energy: -16.114 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -15.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -173.727474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.727474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.727474 (E_RNA) where: Base-Base interactions energy: -109.325 where: short stacking energy: -53.047 Base-Backbone interact. energy: -0.013 local terms energy: -64.389522 where: bonds (distance) C4'-P energy: -14.437 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -6.803 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -157.757533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.757533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.757533 (E_RNA) where: Base-Base interactions energy: -96.829 where: short stacking energy: -52.254 Base-Backbone interact. energy: -0.028 local terms energy: -60.899745 where: bonds (distance) C4'-P energy: -7.756 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -15.712 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -11.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -153.708051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.708051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.708051 (E_RNA) where: Base-Base interactions energy: -91.592 where: short stacking energy: -49.450 Base-Backbone interact. energy: -0.082 local terms energy: -62.033335 where: bonds (distance) C4'-P energy: -14.873 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -148.354208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.354208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.354208 (E_RNA) where: Base-Base interactions energy: -91.345 where: short stacking energy: -46.988 Base-Backbone interact. energy: -0.124 local terms energy: -56.885105 where: bonds (distance) C4'-P energy: -7.770 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -11.583 tors. eta vs tors. theta energy: -11.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -140.837289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.837289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.837289 (E_RNA) where: Base-Base interactions energy: -87.855 where: short stacking energy: -46.497 Base-Backbone interact. energy: -0.027 local terms energy: -52.954663 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -13.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -139.132248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.132248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.132248 (E_RNA) where: Base-Base interactions energy: -81.721 where: short stacking energy: -44.364 Base-Backbone interact. energy: -0.106 local terms energy: -57.305002 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -10.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -95.385091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.385091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.385091 (E_RNA) where: Base-Base interactions energy: -38.778 where: short stacking energy: -28.253 Base-Backbone interact. energy: -0.155 local terms energy: -56.452205 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -12.319 tors. eta vs tors. theta energy: -10.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -226.208770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.208770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.208770 (E_RNA) where: Base-Base interactions energy: -152.296 where: short stacking energy: -77.148 Base-Backbone interact. energy: -0.585 local terms energy: -73.328212 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -19.342 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: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -186.195451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.195451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.195451 (E_RNA) where: Base-Base interactions energy: -112.906 where: short stacking energy: -58.129 Base-Backbone interact. energy: -0.450 local terms energy: -72.839612 where: bonds (distance) C4'-P energy: -17.374 bonds (distance) P-C4' energy: -14.727 flat angles C4'-P-C4' energy: -18.145 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -13.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -177.660400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.660400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.660400 (E_RNA) where: Base-Base interactions energy: -102.395 where: short stacking energy: -60.360 Base-Backbone interact. energy: -0.049 local terms energy: -75.216809 where: bonds (distance) C4'-P energy: -14.666 bonds (distance) P-C4' energy: -17.361 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -13.372 tors. eta vs tors. theta energy: -14.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -171.856902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.856902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.856902 (E_RNA) where: Base-Base interactions energy: -108.264 where: short stacking energy: -56.208 Base-Backbone interact. energy: 1.157 local terms energy: -64.749588 where: bonds (distance) C4'-P energy: -12.303 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -161.431117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.431117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.431117 (E_RNA) where: Base-Base interactions energy: -98.162 where: short stacking energy: -54.066 Base-Backbone interact. energy: 0.194 local terms energy: -63.463838 where: bonds (distance) C4'-P energy: -14.141 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -16.424 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -12.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -164.015961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.015961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.015961 (E_RNA) where: Base-Base interactions energy: -96.493 where: short stacking energy: -53.615 Base-Backbone interact. energy: -0.021 local terms energy: -67.502610 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -15.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -138.849825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.849825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.849825 (E_RNA) where: Base-Base interactions energy: -81.223 where: short stacking energy: -41.475 Base-Backbone interact. energy: -0.296 local terms energy: -57.331388 where: bonds (distance) C4'-P energy: -12.805 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -145.002039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.002039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.002039 (E_RNA) where: Base-Base interactions energy: -83.373 where: short stacking energy: -48.947 Base-Backbone interact. energy: 1.287 local terms energy: -62.916466 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -9.766 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: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -146.036971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.036971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.036971 (E_RNA) where: Base-Base interactions energy: -81.483 where: short stacking energy: -45.582 Base-Backbone interact. energy: -0.029 local terms energy: -64.524781 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -16.222 flat angles C4'-P-C4' energy: -16.321 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -9.429 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: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -81.068608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.068608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.068608 (E_RNA) where: Base-Base interactions energy: -35.843 where: short stacking energy: -35.843 Base-Backbone interact. energy: -0.785 local terms energy: -44.440529 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -7.533 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: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -221.241444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.241444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.241444 (E_RNA) where: Base-Base interactions energy: -137.563 where: short stacking energy: -64.312 Base-Backbone interact. energy: -0.334 local terms energy: -83.344447 where: bonds (distance) C4'-P energy: -17.481 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -17.358 flat angles P-C4'-P energy: -12.636 tors. eta vs tors. theta energy: -19.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -181.501276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.501276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.501276 (E_RNA) where: Base-Base interactions energy: -112.632 where: short stacking energy: -67.529 Base-Backbone interact. energy: -0.030 local terms energy: -68.839573 where: bonds (distance) C4'-P energy: -17.025 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -18.620 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -14.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -185.061497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.061497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.061497 (E_RNA) where: Base-Base interactions energy: -110.716 where: short stacking energy: -58.078 Base-Backbone interact. energy: -0.116 local terms energy: -74.229766 where: bonds (distance) C4'-P energy: -15.630 bonds (distance) P-C4' energy: -17.023 flat angles C4'-P-C4' energy: -16.738 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -14.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -176.557656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.557656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.557656 (E_RNA) where: Base-Base interactions energy: -107.952 where: short stacking energy: -50.799 Base-Backbone interact. energy: 0.819 local terms energy: -69.424957 where: bonds (distance) C4'-P energy: -17.105 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -17.477 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -13.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -167.780165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.780165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.780165 (E_RNA) where: Base-Base interactions energy: -100.956 where: short stacking energy: -55.224 Base-Backbone interact. energy: -0.090 local terms energy: -66.733591 where: bonds (distance) C4'-P energy: -15.022 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -11.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -156.381386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.381386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.381386 (E_RNA) where: Base-Base interactions energy: -88.239 where: short stacking energy: -47.701 Base-Backbone interact. energy: 0.783 local terms energy: -68.925653 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -12.249 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -149.849066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.849066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.849066 (E_RNA) where: Base-Base interactions energy: -95.059 where: short stacking energy: -50.969 Base-Backbone interact. energy: -0.001 local terms energy: -54.789470 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -7.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -142.711367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.711367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.711367 (E_RNA) where: Base-Base interactions energy: -86.775 where: short stacking energy: -44.121 Base-Backbone interact. energy: -0.100 local terms energy: -55.836181 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -8.940 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: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -138.263787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.263787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.263787 (E_RNA) where: Base-Base interactions energy: -81.218 where: short stacking energy: -41.310 Base-Backbone interact. energy: 0.933 local terms energy: -57.978704 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -16.559 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -83.429790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.429790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.429790 (E_RNA) where: Base-Base interactions energy: -38.250 where: short stacking energy: -18.767 Base-Backbone interact. energy: 1.980 local terms energy: -47.160007 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -11.730 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -7.751 tors. eta vs tors. theta energy: 0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -211.719821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.719821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.719821 (E_RNA) where: Base-Base interactions energy: -136.196 where: short stacking energy: -63.522 Base-Backbone interact. energy: 0.302 local terms energy: -75.825197 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -15.378 flat angles P-C4'-P energy: -14.428 tors. eta vs tors. theta energy: -17.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -173.168435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.168435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.168435 (E_RNA) where: Base-Base interactions energy: -105.021 where: short stacking energy: -60.761 Base-Backbone interact. energy: 0.256 local terms energy: -68.403462 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -14.098 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -9.564 tors. eta vs tors. theta energy: -16.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -175.240901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.240901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.240901 (E_RNA) where: Base-Base interactions energy: -114.117 where: short stacking energy: -52.280 Base-Backbone interact. energy: -0.236 local terms energy: -60.888712 where: bonds (distance) C4'-P energy: -13.402 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -12.747 tors. eta vs tors. theta energy: -9.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -167.188153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.188153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.188153 (E_RNA) where: Base-Base interactions energy: -102.655 where: short stacking energy: -44.061 Base-Backbone interact. energy: -0.220 local terms energy: -64.313608 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -16.059 flat angles C4'-P-C4' energy: -16.983 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -8.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -143.158747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.158747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.158747 (E_RNA) where: Base-Base interactions energy: -85.780 where: short stacking energy: -42.316 Base-Backbone interact. energy: -0.150 local terms energy: -57.229538 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -13.002 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -11.666 tors. eta vs tors. theta energy: -4.802 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: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -154.050936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.050936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.050936 (E_RNA) where: Base-Base interactions energy: -103.292 where: short stacking energy: -47.572 Base-Backbone interact. energy: -0.094 local terms energy: -50.665142 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -11.254 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -153.955527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.955527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.955527 (E_RNA) where: Base-Base interactions energy: -96.767 where: short stacking energy: -57.114 Base-Backbone interact. energy: -0.726 local terms energy: -56.461962 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -12.655 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -8.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -152.515971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.515971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.515971 (E_RNA) where: Base-Base interactions energy: -89.758 where: short stacking energy: -47.593 Base-Backbone interact. energy: -0.026 local terms energy: -62.732434 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -17.448 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -9.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -155.348264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.348264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.348264 (E_RNA) where: Base-Base interactions energy: -95.240 where: short stacking energy: -39.358 Base-Backbone interact. energy: -0.218 local terms energy: -59.889826 where: bonds (distance) C4'-P energy: -17.538 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -88.126723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.126723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.126723 (E_RNA) where: Base-Base interactions energy: -38.609 where: short stacking energy: -37.649 Base-Backbone interact. energy: -0.024 local terms energy: -49.493524 where: bonds (distance) C4'-P energy: -18.023 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -15.808 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -224.133617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.133617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.133617 (E_RNA) where: Base-Base interactions energy: -147.101 where: short stacking energy: -67.651 Base-Backbone interact. energy: -1.080 local terms energy: -75.952974 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -12.875 tors. eta vs tors. theta energy: -21.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -177.760205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.760205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.760205 (E_RNA) where: Base-Base interactions energy: -105.693 where: short stacking energy: -60.431 Base-Backbone interact. energy: -0.006 local terms energy: -72.061261 where: bonds (distance) C4'-P energy: -16.715 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -15.695 flat angles P-C4'-P energy: -11.902 tors. eta vs tors. theta energy: -11.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -186.308414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.308414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.308414 (E_RNA) where: Base-Base interactions energy: -119.009 where: short stacking energy: -74.716 Base-Backbone interact. energy: 1.435 local terms energy: -68.734311 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -16.718 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -15.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -165.819747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.819747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.819747 (E_RNA) where: Base-Base interactions energy: -99.903 where: short stacking energy: -57.733 Base-Backbone interact. energy: -0.353 local terms energy: -65.563907 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -15.579 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -11.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -161.284439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.284439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.284439 (E_RNA) where: Base-Base interactions energy: -95.764 where: short stacking energy: -49.533 Base-Backbone interact. energy: -0.118 local terms energy: -65.402112 where: bonds (distance) C4'-P energy: -17.192 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -9.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -153.573173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.573173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.573173 (E_RNA) where: Base-Base interactions energy: -97.675 where: short stacking energy: -46.309 Base-Backbone interact. energy: -0.189 local terms energy: -55.708599 where: bonds (distance) C4'-P energy: -11.548 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -10.992 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: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -146.631744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.631744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.631744 (E_RNA) where: Base-Base interactions energy: -88.162 where: short stacking energy: -48.450 Base-Backbone interact. energy: -0.641 local terms energy: -57.828379 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -16.427 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -8.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -154.105254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.105254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.105254 (E_RNA) where: Base-Base interactions energy: -94.100 where: short stacking energy: -44.304 Base-Backbone interact. energy: -0.147 local terms energy: -59.857979 where: bonds (distance) C4'-P energy: -10.635 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -12.469 tors. eta vs tors. theta energy: -8.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -140.679314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.679314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.679314 (E_RNA) where: Base-Base interactions energy: -77.440 where: short stacking energy: -33.962 Base-Backbone interact. energy: -0.358 local terms energy: -62.880797 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -15.229 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -10.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -81.210923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.210923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.210923 (E_RNA) where: Base-Base interactions energy: -40.307 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.157 local terms energy: -40.746863 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -17.749 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: 4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -216.466528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.466528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.466528 (E_RNA) where: Base-Base interactions energy: -139.515 where: short stacking energy: -66.040 Base-Backbone interact. energy: 1.382 local terms energy: -78.333813 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -17.091 flat angles P-C4'-P energy: -11.724 tors. eta vs tors. theta energy: -19.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -179.212889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.212889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.212889 (E_RNA) where: Base-Base interactions energy: -106.966 where: short stacking energy: -65.201 Base-Backbone interact. energy: -0.049 local terms energy: -72.197920 where: bonds (distance) C4'-P energy: -16.947 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -16.744 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: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -176.830916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.830916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.830916 (E_RNA) where: Base-Base interactions energy: -108.355 where: short stacking energy: -60.689 Base-Backbone interact. energy: -0.065 local terms energy: -68.411688 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -17.157 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -14.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -164.946698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.946698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.946698 (E_RNA) where: Base-Base interactions energy: -98.900 where: short stacking energy: -50.491 Base-Backbone interact. energy: -0.109 local terms energy: -65.937901 where: bonds (distance) C4'-P energy: -15.477 bonds (distance) P-C4' energy: -16.963 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -10.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -163.761833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.761833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.761833 (E_RNA) where: Base-Base interactions energy: -100.062 where: short stacking energy: -56.623 Base-Backbone interact. energy: -0.066 local terms energy: -63.633755 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -15.329 flat angles C4'-P-C4' energy: -14.122 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -12.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -151.229265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.229265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.229265 (E_RNA) where: Base-Base interactions energy: -92.145 where: short stacking energy: -49.578 Base-Backbone interact. energy: -0.081 local terms energy: -59.003771 where: bonds (distance) C4'-P energy: -12.252 bonds (distance) P-C4' energy: -14.232 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -10.443 tors. eta vs tors. theta energy: -9.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -147.393430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.393430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.393430 (E_RNA) where: Base-Base interactions energy: -84.636 where: short stacking energy: -49.068 Base-Backbone interact. energy: -0.010 local terms energy: -62.747565 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -139.715266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.715266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.715266 (E_RNA) where: Base-Base interactions energy: -81.605 where: short stacking energy: -40.499 Base-Backbone interact. energy: -0.032 local terms energy: -58.077735 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -15.248 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -5.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -77.313929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.313929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.313929 (E_RNA) where: Base-Base interactions energy: -27.615 where: short stacking energy: -26.951 Base-Backbone interact. energy: 0.287 local terms energy: -49.986371 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -4.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -138.149754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.149754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.149754 (E_RNA) where: Base-Base interactions energy: -84.892 where: short stacking energy: -43.006 Base-Backbone interact. energy: 0.109 local terms energy: -53.366551 where: bonds (distance) C4'-P energy: -5.383 bonds (distance) P-C4' energy: -12.266 flat angles C4'-P-C4' energy: -15.014 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -9.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -215.592347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.592347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.592347 (E_RNA) where: Base-Base interactions energy: -146.793 where: short stacking energy: -69.521 Base-Backbone interact. energy: 0.308 local terms energy: -69.107161 where: bonds (distance) C4'-P energy: -14.629 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -13.552 flat angles P-C4'-P energy: -12.129 tors. eta vs tors. theta energy: -13.622 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: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -179.068619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.068619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.068619 (E_RNA) where: Base-Base interactions energy: -111.824 where: short stacking energy: -67.165 Base-Backbone interact. energy: -0.030 local terms energy: -67.215011 where: bonds (distance) C4'-P energy: -18.296 bonds (distance) P-C4' energy: -10.590 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -15.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -170.286781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.286781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.286781 (E_RNA) where: Base-Base interactions energy: -99.777 where: short stacking energy: -48.976 Base-Backbone interact. energy: -0.216 local terms energy: -70.294215 where: bonds (distance) C4'-P energy: -17.000 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -14.110 flat angles P-C4'-P energy: -12.782 tors. eta vs tors. theta energy: -10.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -163.238014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.238014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.238014 (E_RNA) where: Base-Base interactions energy: -95.581 where: short stacking energy: -53.582 Base-Backbone interact. energy: -0.785 local terms energy: -66.872047 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -15.343 flat angles P-C4'-P energy: -8.822 tors. eta vs tors. theta energy: -12.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -162.609890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.609890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.609890 (E_RNA) where: Base-Base interactions energy: -90.632 where: short stacking energy: -51.165 Base-Backbone interact. energy: -0.003 local terms energy: -71.974922 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -14.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -149.045303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.045303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.045303 (E_RNA) where: Base-Base interactions energy: -88.080 where: short stacking energy: -44.290 Base-Backbone interact. energy: -0.207 local terms energy: -60.758470 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -8.465 flat angles C4'-P-C4' energy: -17.116 flat angles P-C4'-P energy: -10.834 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -151.333771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.333771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.333771 (E_RNA) where: Base-Base interactions energy: -94.012 where: short stacking energy: -54.068 Base-Backbone interact. energy: 1.081 local terms energy: -58.402991 where: bonds (distance) C4'-P energy: -9.541 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -15.375 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -13.305 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: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -158.183656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.183656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.183656 (E_RNA) where: Base-Base interactions energy: -94.262 where: short stacking energy: -56.074 Base-Backbone interact. energy: -0.133 local terms energy: -63.788529 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -16.240 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -11.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -86.295312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.295312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.295312 (E_RNA) where: Base-Base interactions energy: -39.782 where: short stacking energy: -39.782 Base-Backbone interact. energy: 0.126 local terms energy: -46.639072 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -7.989 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -141.416100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.416100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.416100 (E_RNA) where: Base-Base interactions energy: -97.152 where: short stacking energy: -41.702 Base-Backbone interact. energy: -0.096 local terms energy: -44.167422 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -221.124487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.124487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.124487 (E_RNA) where: Base-Base interactions energy: -141.995 where: short stacking energy: -71.268 Base-Backbone interact. energy: -0.577 local terms energy: -78.552804 where: bonds (distance) C4'-P energy: -14.989 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -16.243 flat angles P-C4'-P energy: -12.397 tors. eta vs tors. theta energy: -19.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -195.839744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.839744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.839744 (E_RNA) where: Base-Base interactions energy: -122.358 where: short stacking energy: -60.405 Base-Backbone interact. energy: -0.034 local terms energy: -73.447433 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -17.933 flat angles P-C4'-P energy: -11.441 tors. eta vs tors. theta energy: -16.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -178.037759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.037759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.037759 (E_RNA) where: Base-Base interactions energy: -107.945 where: short stacking energy: -62.970 Base-Backbone interact. energy: -0.051 local terms energy: -70.041593 where: bonds (distance) C4'-P energy: -14.541 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -19.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -165.546420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.546420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.546420 (E_RNA) where: Base-Base interactions energy: -94.833 where: short stacking energy: -50.540 Base-Backbone interact. energy: -0.689 local terms energy: -70.023511 where: bonds (distance) C4'-P energy: -16.279 bonds (distance) P-C4' energy: -17.349 flat angles C4'-P-C4' energy: -14.767 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -11.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -166.124282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.124282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.124282 (E_RNA) where: Base-Base interactions energy: -100.459 where: short stacking energy: -49.561 Base-Backbone interact. energy: -0.682 local terms energy: -64.983994 where: bonds (distance) C4'-P energy: -15.862 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -14.364 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -9.960 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: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -164.142365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.142365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.142365 (E_RNA) where: Base-Base interactions energy: -105.118 where: short stacking energy: -58.789 Base-Backbone interact. energy: 0.911 local terms energy: -59.934772 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -15.557 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -16.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -140.092304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.092304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.092304 (E_RNA) where: Base-Base interactions energy: -87.957 where: short stacking energy: -38.154 Base-Backbone interact. energy: -0.197 local terms energy: -51.938682 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -146.323077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.323077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.323077 (E_RNA) where: Base-Base interactions energy: -89.516 where: short stacking energy: -52.032 Base-Backbone interact. energy: -0.388 local terms energy: -56.419312 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -12.646 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -9.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -146.267963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.267963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.267963 (E_RNA) where: Base-Base interactions energy: -90.879 where: short stacking energy: -47.114 Base-Backbone interact. energy: -0.703 local terms energy: -54.686309 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -74.759488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.759488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.759488 (E_RNA) where: Base-Base interactions energy: -28.281 where: short stacking energy: -26.588 Base-Backbone interact. energy: -0.707 local terms energy: -45.772098 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -226.017873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.017873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.017873 (E_RNA) where: Base-Base interactions energy: -153.677 where: short stacking energy: -77.144 Base-Backbone interact. energy: -0.210 local terms energy: -72.130471 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -16.715 flat angles C4'-P-C4' energy: -15.797 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -18.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -185.843187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.843187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.843187 (E_RNA) where: Base-Base interactions energy: -113.498 where: short stacking energy: -64.116 Base-Backbone interact. energy: -0.235 local terms energy: -72.109731 where: bonds (distance) C4'-P energy: -15.953 bonds (distance) P-C4' energy: -12.154 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -11.954 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -185.298218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.298218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.298218 (E_RNA) where: Base-Base interactions energy: -115.702 where: short stacking energy: -60.208 Base-Backbone interact. energy: -0.033 local terms energy: -69.563012 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -16.620 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -14.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -161.697759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.697759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.697759 (E_RNA) where: Base-Base interactions energy: -96.487 where: short stacking energy: -54.042 Base-Backbone interact. energy: -0.123 local terms energy: -65.088245 where: bonds (distance) C4'-P energy: -14.347 bonds (distance) P-C4' energy: -16.642 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -8.709 tors. eta vs tors. theta energy: -10.640 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: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -163.665212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.665212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.665212 (E_RNA) where: Base-Base interactions energy: -96.404 where: short stacking energy: -51.385 Base-Backbone interact. energy: 0.883 local terms energy: -68.143223 where: bonds (distance) C4'-P energy: -16.404 bonds (distance) P-C4' energy: -13.703 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -11.021 tors. eta vs tors. theta energy: -11.944 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: 451 Temperature: 1.150000 Total energy: -155.795363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.795363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.795363 (E_RNA) where: Base-Base interactions energy: -86.085 where: short stacking energy: -45.787 Base-Backbone interact. energy: -0.325 local terms energy: -69.384540 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -18.211 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -12.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -149.130079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.130079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.130079 (E_RNA) where: Base-Base interactions energy: -95.295 where: short stacking energy: -37.509 Base-Backbone interact. energy: 0.234 local terms energy: -54.068767 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -12.901 flat angles C4'-P-C4' energy: -14.254 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -144.281057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.281057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.281057 (E_RNA) where: Base-Base interactions energy: -91.077 where: short stacking energy: -45.462 Base-Backbone interact. energy: 0.845 local terms energy: -54.049735 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -16.660 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -142.731809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.731809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.731809 (E_RNA) where: Base-Base interactions energy: -94.413 where: short stacking energy: -42.227 Base-Backbone interact. energy: -1.344 local terms energy: -46.975253 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -9.366 flat angles C4'-P-C4' energy: -9.888 flat angles P-C4'-P energy: -9.014 tors. eta vs tors. theta energy: -9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -80.787427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.787427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.787427 (E_RNA) where: Base-Base interactions energy: -37.643 where: short stacking energy: -25.372 Base-Backbone interact. energy: -0.306 local terms energy: -42.838970 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -17.241 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: 2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -226.071242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.071242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.071242 (E_RNA) where: Base-Base interactions energy: -145.701 where: short stacking energy: -64.006 Base-Backbone interact. energy: -0.503 local terms energy: -79.866591 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -16.409 flat angles C4'-P-C4' energy: -16.694 flat angles P-C4'-P energy: -13.977 tors. eta vs tors. theta energy: -19.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -183.598316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.598316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.598316 (E_RNA) where: Base-Base interactions energy: -108.253 where: short stacking energy: -63.412 Base-Backbone interact. energy: -0.467 local terms energy: -74.878250 where: bonds (distance) C4'-P energy: -16.210 bonds (distance) P-C4' energy: -17.553 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -18.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -165.544637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.544637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.544637 (E_RNA) where: Base-Base interactions energy: -98.261 where: short stacking energy: -59.532 Base-Backbone interact. energy: -0.036 local terms energy: -67.247523 where: bonds (distance) C4'-P energy: -14.957 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -12.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -169.323760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.323760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.323760 (E_RNA) where: Base-Base interactions energy: -101.840 where: short stacking energy: -47.569 Base-Backbone interact. energy: -0.102 local terms energy: -67.381540 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -17.270 flat angles C4'-P-C4' energy: -16.089 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -10.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -163.003173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.003173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.003173 (E_RNA) where: Base-Base interactions energy: -110.307 where: short stacking energy: -53.957 Base-Backbone interact. energy: -0.047 local terms energy: -52.649351 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -12.624 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -12.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -159.259195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.259195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.259195 (E_RNA) where: Base-Base interactions energy: -97.573 where: short stacking energy: -46.858 Base-Backbone interact. energy: 0.740 local terms energy: -62.426083 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -12.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -161.766078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.766078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.766078 (E_RNA) where: Base-Base interactions energy: -96.043 where: short stacking energy: -51.827 Base-Backbone interact. energy: 0.482 local terms energy: -66.205184 where: bonds (distance) C4'-P energy: -17.080 bonds (distance) P-C4' energy: -10.872 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -11.035 tors. eta vs tors. theta energy: -13.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -144.695882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.695882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.695882 (E_RNA) where: Base-Base interactions energy: -87.281 where: short stacking energy: -40.552 Base-Backbone interact. energy: -1.453 local terms energy: -55.962568 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -17.865 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -7.404 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: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -135.473917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.473917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.473917 (E_RNA) where: Base-Base interactions energy: -80.063 where: short stacking energy: -41.914 Base-Backbone interact. energy: -0.600 local terms energy: -54.810768 where: bonds (distance) C4'-P energy: -14.042 bonds (distance) P-C4' energy: -9.893 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -11.632 tors. eta vs tors. theta energy: -10.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -77.420528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.420528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.420528 (E_RNA) where: Base-Base interactions energy: -25.000 where: short stacking energy: -23.815 Base-Backbone interact. energy: -0.065 local terms energy: -52.355343 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -9.789 tors. eta vs tors. theta energy: 0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -208.270838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.270838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.270838 (E_RNA) where: Base-Base interactions energy: -134.561 where: short stacking energy: -65.433 Base-Backbone interact. energy: -0.518 local terms energy: -73.191938 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -16.588 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: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -173.680109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.680109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.680109 (E_RNA) where: Base-Base interactions energy: -101.837 where: short stacking energy: -59.615 Base-Backbone interact. energy: -0.043 local terms energy: -71.800285 where: bonds (distance) C4'-P energy: -15.739 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -16.411 flat angles P-C4'-P energy: -11.787 tors. eta vs tors. theta energy: -13.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -177.675125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.675125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.675125 (E_RNA) where: Base-Base interactions energy: -107.399 where: short stacking energy: -57.425 Base-Backbone interact. energy: -0.145 local terms energy: -70.131471 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -13.770 flat angles C4'-P-C4' energy: -18.178 flat angles P-C4'-P energy: -12.940 tors. eta vs tors. theta energy: -10.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -166.765983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.765983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.765983 (E_RNA) where: Base-Base interactions energy: -101.013 where: short stacking energy: -38.875 Base-Backbone interact. energy: -0.268 local terms energy: -65.484987 where: bonds (distance) C4'-P energy: -15.394 bonds (distance) P-C4' energy: -16.166 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -165.710158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.710158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.710158 (E_RNA) where: Base-Base interactions energy: -94.694 where: short stacking energy: -54.149 Base-Backbone interact. energy: -0.023 local terms energy: -70.993354 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -16.537 flat angles P-C4'-P energy: -13.662 tors. eta vs tors. theta energy: -13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -152.590685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.590685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.590685 (E_RNA) where: Base-Base interactions energy: -82.319 where: short stacking energy: -42.177 Base-Backbone interact. energy: -0.063 local terms energy: -70.208886 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -16.241 flat angles P-C4'-P energy: -12.532 tors. eta vs tors. theta energy: -10.177 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: 453 Temperature: 1.200000 Total energy: -156.593603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.593603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.593603 (E_RNA) where: Base-Base interactions energy: -93.618 where: short stacking energy: -49.803 Base-Backbone interact. energy: -0.118 local terms energy: -62.857617 where: bonds (distance) C4'-P energy: -16.830 bonds (distance) P-C4' energy: -13.348 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -151.736424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.736424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.736424 (E_RNA) where: Base-Base interactions energy: -90.959 where: short stacking energy: -47.983 Base-Backbone interact. energy: 3.643 local terms energy: -64.420631 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -14.929 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -12.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -138.600914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.600914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.600914 (E_RNA) where: Base-Base interactions energy: -94.383 where: short stacking energy: -30.377 Base-Backbone interact. energy: -0.622 local terms energy: -43.595488 where: bonds (distance) C4'-P energy: -8.816 bonds (distance) P-C4' energy: -10.943 flat angles C4'-P-C4' energy: -10.718 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -87.710583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.710583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.710583 (E_RNA) where: Base-Base interactions energy: -41.279 where: short stacking energy: -35.782 Base-Backbone interact. energy: -0.041 local terms energy: -46.390709 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -1.735 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -178.183416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.183416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.183416 (E_RNA) where: Base-Base interactions energy: -113.905 where: short stacking energy: -62.438 Base-Backbone interact. energy: -0.027 local terms energy: -64.251394 where: bonds (distance) C4'-P energy: -12.896 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -16.737 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -14.104 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: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -212.489614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.489614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.489614 (E_RNA) where: Base-Base interactions energy: -142.326 where: short stacking energy: -64.033 Base-Backbone interact. energy: -0.340 local terms energy: -69.824272 where: bonds (distance) C4'-P energy: -14.248 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -16.841 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -174.064922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.064922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.064922 (E_RNA) where: Base-Base interactions energy: -106.001 where: short stacking energy: -52.658 Base-Backbone interact. energy: 0.021 local terms energy: -68.084980 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -16.569 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -11.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -168.033343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.033343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.033343 (E_RNA) where: Base-Base interactions energy: -106.612 where: short stacking energy: -45.756 Base-Backbone interact. energy: -0.788 local terms energy: -60.633406 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -174.366882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.366882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.366882 (E_RNA) where: Base-Base interactions energy: -101.729 where: short stacking energy: -58.318 Base-Backbone interact. energy: -0.013 local terms energy: -72.624822 where: bonds (distance) C4'-P energy: -16.865 bonds (distance) P-C4' energy: -15.384 flat angles C4'-P-C4' energy: -16.898 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -14.645 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: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -150.084930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.084930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.084930 (E_RNA) where: Base-Base interactions energy: -85.842 where: short stacking energy: -47.377 Base-Backbone interact. energy: -0.192 local terms energy: -64.051440 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -17.129 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -11.821 tors. eta vs tors. theta energy: -10.014 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: 454 Temperature: 1.200000 Total energy: -147.946746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.946746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.946746 (E_RNA) where: Base-Base interactions energy: -86.154 where: short stacking energy: -44.477 Base-Backbone interact. energy: 1.472 local terms energy: -63.264963 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -10.512 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -12.338 tors. eta vs tors. theta energy: -10.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -140.971714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.971714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.971714 (E_RNA) where: Base-Base interactions energy: -81.870 where: short stacking energy: -35.845 Base-Backbone interact. energy: -0.148 local terms energy: -58.953648 where: bonds (distance) C4'-P energy: -14.717 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -16.083 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -140.088018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.088018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.088018 (E_RNA) where: Base-Base interactions energy: -86.072 where: short stacking energy: -47.298 Base-Backbone interact. energy: -0.116 local terms energy: -53.900783 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -14.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -77.684896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.684896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.684896 (E_RNA) where: Base-Base interactions energy: -31.464 where: short stacking energy: -27.624 Base-Backbone interact. energy: -0.311 local terms energy: -45.909729 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: 0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -187.572947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.572947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.572947 (E_RNA) where: Base-Base interactions energy: -113.217 where: short stacking energy: -62.145 Base-Backbone interact. energy: -0.352 local terms energy: -74.004188 where: bonds (distance) C4'-P energy: -16.297 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -18.455 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: -17.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -203.069840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.069840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.069840 (E_RNA) where: Base-Base interactions energy: -130.255 where: short stacking energy: -68.691 Base-Backbone interact. energy: -0.198 local terms energy: -72.617213 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -15.878 flat angles C4'-P-C4' energy: -17.068 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -15.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -183.865294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.865294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.865294 (E_RNA) where: Base-Base interactions energy: -111.881 where: short stacking energy: -64.973 Base-Backbone interact. energy: 0.688 local terms energy: -72.672374 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -14.031 tors. eta vs tors. theta energy: -18.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -168.304268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.304268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.304268 (E_RNA) where: Base-Base interactions energy: -108.185 where: short stacking energy: -50.159 Base-Backbone interact. energy: -0.892 local terms energy: -59.226769 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -6.011 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: 5, replica: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -163.471548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.471548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.471548 (E_RNA) where: Base-Base interactions energy: -93.235 where: short stacking energy: -56.380 Base-Backbone interact. energy: -0.140 local terms energy: -70.096376 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -11.512 tors. eta vs tors. theta energy: -15.385 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: 6, replica: 3 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -160.604280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.604280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.604280 (E_RNA) where: Base-Base interactions energy: -89.061 where: short stacking energy: -53.226 Base-Backbone interact. energy: -0.049 local terms energy: -71.494311 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -17.625 flat angles C4'-P-C4' energy: -13.591 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -153.702026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.702026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.702026 (E_RNA) where: Base-Base interactions energy: -90.648 where: short stacking energy: -39.178 Base-Backbone interact. energy: -0.323 local terms energy: -62.730717 where: bonds (distance) C4'-P energy: -16.521 bonds (distance) P-C4' energy: -17.491 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -144.800303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.800303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.800303 (E_RNA) where: Base-Base interactions energy: -89.373 where: short stacking energy: -48.840 Base-Backbone interact. energy: 0.360 local terms energy: -55.787312 where: bonds (distance) C4'-P energy: -11.823 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -13.412 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -10.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -136.797634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.797634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.797634 (E_RNA) where: Base-Base interactions energy: -82.659 where: short stacking energy: -37.981 Base-Backbone interact. energy: -0.241 local terms energy: -53.896980 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -16.614 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -82.950447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.950447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.950447 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -28.708 Base-Backbone interact. energy: -0.966 local terms energy: -52.244655 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -16.183 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -213.684501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.684501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.684501 (E_RNA) where: Base-Base interactions energy: -144.332 where: short stacking energy: -62.890 Base-Backbone interact. energy: -0.185 local terms energy: -69.168127 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -16.967 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: -12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -178.279776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.279776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.279776 (E_RNA) where: Base-Base interactions energy: -105.518 where: short stacking energy: -61.004 Base-Backbone interact. energy: -0.257 local terms energy: -72.504627 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -12.543 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -172.074408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.074408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.074408 (E_RNA) where: Base-Base interactions energy: -106.485 where: short stacking energy: -50.781 Base-Backbone interact. energy: -0.203 local terms energy: -65.386559 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -16.984 flat angles P-C4'-P energy: -11.036 tors. eta vs tors. theta energy: -9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -198.162647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.162647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.162647 (E_RNA) where: Base-Base interactions energy: -126.975 where: short stacking energy: -54.105 Base-Backbone interact. energy: -0.041 local terms energy: -71.146882 where: bonds (distance) C4'-P energy: -15.526 bonds (distance) P-C4' energy: -16.715 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -12.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -158.074597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.074597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.074597 (E_RNA) where: Base-Base interactions energy: -92.118 where: short stacking energy: -43.149 Base-Backbone interact. energy: 0.177 local terms energy: -66.133586 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -18.177 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -10.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -162.349514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.349514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.349514 (E_RNA) where: Base-Base interactions energy: -101.536 where: short stacking energy: -54.297 Base-Backbone interact. energy: -0.022 local terms energy: -60.792145 where: bonds (distance) C4'-P energy: -9.189 bonds (distance) P-C4' energy: -13.784 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -14.491 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: 456 Temperature: 1.200000 Total energy: -146.510099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.510099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.510099 (E_RNA) where: Base-Base interactions energy: -86.900 where: short stacking energy: -45.376 Base-Backbone interact. energy: 0.017 local terms energy: -59.627618 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -10.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -145.266863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.266863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.266863 (E_RNA) where: Base-Base interactions energy: -92.211 where: short stacking energy: -45.846 Base-Backbone interact. energy: -0.052 local terms energy: -53.004134 where: bonds (distance) C4'-P energy: -7.549 bonds (distance) P-C4' energy: -17.319 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -8.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -73.281781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.281781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.281781 (E_RNA) where: Base-Base interactions energy: -30.652 where: short stacking energy: -20.400 Base-Backbone interact. energy: 0.766 local terms energy: -43.396009 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: 3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -114.072011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.072011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.072011 (E_RNA) where: Base-Base interactions energy: -65.207 where: short stacking energy: -32.874 Base-Backbone interact. energy: 0.021 local terms energy: -48.886267 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -10.615 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -5.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -214.954631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.954631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.954631 (E_RNA) where: Base-Base interactions energy: -146.963 where: short stacking energy: -59.426 Base-Backbone interact. energy: -0.882 local terms energy: -67.109926 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -17.454 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -181.220150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.220150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.220150 (E_RNA) where: Base-Base interactions energy: -107.073 where: short stacking energy: -61.299 Base-Backbone interact. energy: 0.835 local terms energy: -74.981330 where: bonds (distance) C4'-P energy: -16.335 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -15.860 flat angles P-C4'-P energy: -11.759 tors. eta vs tors. theta energy: -17.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -165.756189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.756189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.756189 (E_RNA) where: Base-Base interactions energy: -98.906 where: short stacking energy: -53.398 Base-Backbone interact. energy: -0.068 local terms energy: -66.781946 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -10.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -191.333222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.333222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.333222 (E_RNA) where: Base-Base interactions energy: -124.698 where: short stacking energy: -52.752 Base-Backbone interact. energy: -0.038 local terms energy: -66.596933 where: bonds (distance) C4'-P energy: -14.839 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -10.917 tors. eta vs tors. theta energy: -13.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -177.678100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.678100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.678100 (E_RNA) where: Base-Base interactions energy: -103.680 where: short stacking energy: -56.647 Base-Backbone interact. energy: -0.144 local terms energy: -73.854230 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -14.813 flat angles P-C4'-P energy: -12.806 tors. eta vs tors. theta energy: -17.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -155.680365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.680365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.680365 (E_RNA) where: Base-Base interactions energy: -91.676 where: short stacking energy: -45.842 Base-Backbone interact. energy: -0.069 local terms energy: -63.934689 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -15.821 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -152.234681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.234681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.234681 (E_RNA) where: Base-Base interactions energy: -99.237 where: short stacking energy: -53.004 Base-Backbone interact. energy: 0.329 local terms energy: -53.327114 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -14.602 flat angles C4'-P-C4' energy: -16.146 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -8.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -144.256440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.256440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.256440 (E_RNA) where: Base-Base interactions energy: -84.925 where: short stacking energy: -38.093 Base-Backbone interact. energy: -0.345 local terms energy: -58.986293 where: bonds (distance) C4'-P energy: -12.021 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -16.879 flat angles P-C4'-P energy: -9.974 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -93.230582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.230582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.230582 (E_RNA) where: Base-Base interactions energy: -52.076 where: short stacking energy: -24.647 Base-Backbone interact. energy: 0.521 local terms energy: -41.674816 where: bonds (distance) C4'-P energy: -13.204 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: 7.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -87.113724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.113724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.113724 (E_RNA) where: Base-Base interactions energy: -39.908 where: short stacking energy: -38.055 Base-Backbone interact. energy: -0.850 local terms energy: -46.355603 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -191.769924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.769924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.769924 (E_RNA) where: Base-Base interactions energy: -115.846 where: short stacking energy: -74.090 Base-Backbone interact. energy: -0.667 local terms energy: -75.256127 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -14.890 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -19.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -207.956775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.956775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.956775 (E_RNA) where: Base-Base interactions energy: -132.289 where: short stacking energy: -69.497 Base-Backbone interact. energy: -0.195 local terms energy: -75.472639 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -15.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -175.113681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.113681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.113681 (E_RNA) where: Base-Base interactions energy: -102.540 where: short stacking energy: -58.407 Base-Backbone interact. energy: -0.603 local terms energy: -71.970466 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -16.103 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -13.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -193.120724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.120724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.120724 (E_RNA) where: Base-Base interactions energy: -126.686 where: short stacking energy: -59.273 Base-Backbone interact. energy: -0.307 local terms energy: -66.128334 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -11.062 flat angles C4'-P-C4' energy: -15.936 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -18.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -171.348964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.348964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.348964 (E_RNA) where: Base-Base interactions energy: -100.749 where: short stacking energy: -48.919 Base-Backbone interact. energy: -0.133 local terms energy: -70.466470 where: bonds (distance) C4'-P energy: -15.514 bonds (distance) P-C4' energy: -17.749 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -12.090 tors. eta vs tors. theta energy: -10.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -168.942919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.942919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.942919 (E_RNA) where: Base-Base interactions energy: -100.028 where: short stacking energy: -41.174 Base-Backbone interact. energy: -0.132 local terms energy: -68.783076 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -13.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -159.666051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.666051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.666051 (E_RNA) where: Base-Base interactions energy: -93.787 where: short stacking energy: -48.509 Base-Backbone interact. energy: -0.218 local terms energy: -65.661995 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -15.382 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -10.523 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: 8, replica: 10 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -154.409929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.409929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.409929 (E_RNA) where: Base-Base interactions energy: -92.610 where: short stacking energy: -37.636 Base-Backbone interact. energy: -0.084 local terms energy: -61.716371 where: bonds (distance) C4'-P energy: -10.467 bonds (distance) P-C4' energy: -17.181 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -9.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -80.736071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.736071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.736071 (E_RNA) where: Base-Base interactions energy: -32.200 where: short stacking energy: -24.737 Base-Backbone interact. energy: -0.203 local terms energy: -48.333876 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -69.638427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.638427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.638427 (E_RNA) where: Base-Base interactions energy: -21.586 where: short stacking energy: -21.586 Base-Backbone interact. energy: 0.056 local terms energy: -48.108096 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: 2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -191.694932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.694932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.694932 (E_RNA) where: Base-Base interactions energy: -117.819 where: short stacking energy: -71.295 Base-Backbone interact. energy: -0.003 local terms energy: -73.873504 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -15.583 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -20.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -205.165182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.165182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.165182 (E_RNA) where: Base-Base interactions energy: -129.569 where: short stacking energy: -59.618 Base-Backbone interact. energy: 0.158 local terms energy: -75.754147 where: bonds (distance) C4'-P energy: -15.954 bonds (distance) P-C4' energy: -17.926 flat angles C4'-P-C4' energy: -16.013 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -164.827636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.827636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.827636 (E_RNA) where: Base-Base interactions energy: -100.512 where: short stacking energy: -51.047 Base-Backbone interact. energy: -0.172 local terms energy: -64.143205 where: bonds (distance) C4'-P energy: -13.229 bonds (distance) P-C4' energy: -16.359 flat angles C4'-P-C4' energy: -16.324 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -7.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -187.601229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.601229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.601229 (E_RNA) where: Base-Base interactions energy: -117.592 where: short stacking energy: -51.829 Base-Backbone interact. energy: -0.152 local terms energy: -69.857872 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -15.954 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -13.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -164.913151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.913151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.913151 (E_RNA) where: Base-Base interactions energy: -102.661 where: short stacking energy: -41.922 Base-Backbone interact. energy: -0.408 local terms energy: -61.843516 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -14.959 flat angles C4'-P-C4' energy: -15.951 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -12.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -162.210638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.210638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.210638 (E_RNA) where: Base-Base interactions energy: -100.546 where: short stacking energy: -57.674 Base-Backbone interact. energy: -0.145 local terms energy: -61.519305 where: bonds (distance) C4'-P energy: -16.802 bonds (distance) P-C4' energy: -12.491 flat angles C4'-P-C4' energy: -11.098 flat angles P-C4'-P energy: -12.284 tors. eta vs tors. theta energy: -8.844 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: 7, replica: 3 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -153.258174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.258174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.258174 (E_RNA) where: Base-Base interactions energy: -94.311 where: short stacking energy: -58.989 Base-Backbone interact. energy: -0.879 local terms energy: -58.068828 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -14.679 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -16.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -140.300416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.300416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.300416 (E_RNA) where: Base-Base interactions energy: -84.190 where: short stacking energy: -40.588 Base-Backbone interact. energy: -0.181 local terms energy: -55.929216 where: bonds (distance) C4'-P energy: -14.952 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -15.706 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -4.573 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: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -88.199368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.199368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.199368 (E_RNA) where: Base-Base interactions energy: -30.455 where: short stacking energy: -30.655 Base-Backbone interact. energy: -0.104 local terms energy: -57.640419 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -5.259 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: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -81.409270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.409270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.409270 (E_RNA) where: Base-Base interactions energy: -46.687 where: short stacking energy: -23.996 Base-Backbone interact. energy: -0.433 local terms energy: -34.290000 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -7.575 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -222.745322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.745322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.745322 (E_RNA) where: Base-Base interactions energy: -152.330 where: short stacking energy: -73.781 Base-Backbone interact. energy: 2.184 local terms energy: -72.598738 where: bonds (distance) C4'-P energy: -16.495 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -12.833 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -188.265318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.265318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.265318 (E_RNA) where: Base-Base interactions energy: -112.717 where: short stacking energy: -70.536 Base-Backbone interact. energy: -0.037 local terms energy: -75.510824 where: bonds (distance) C4'-P energy: -16.119 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -17.127 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -19.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -193.457950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.457950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.457950 (E_RNA) where: Base-Base interactions energy: -123.017 where: short stacking energy: -65.608 Base-Backbone interact. energy: 0.876 local terms energy: -71.316277 where: bonds (distance) C4'-P energy: -14.186 bonds (distance) P-C4' energy: -14.941 flat angles C4'-P-C4' energy: -11.423 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -19.165 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: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -171.690590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.690590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.690590 (E_RNA) where: Base-Base interactions energy: -105.224 where: short stacking energy: -50.402 Base-Backbone interact. energy: 0.199 local terms energy: -66.665571 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -170.508056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.508056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.508056 (E_RNA) where: Base-Base interactions energy: -100.353 where: short stacking energy: -56.448 Base-Backbone interact. energy: -0.086 local terms energy: -70.068704 where: bonds (distance) C4'-P energy: -16.186 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -16.568 flat angles P-C4'-P energy: -11.177 tors. eta vs tors. theta energy: -10.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -163.354186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.354186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.354186 (E_RNA) where: Base-Base interactions energy: -97.950 where: short stacking energy: -58.846 Base-Backbone interact. energy: -0.099 local terms energy: -65.305775 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -17.360 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: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -144.740097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.740097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.740097 (E_RNA) where: Base-Base interactions energy: -86.835 where: short stacking energy: -34.117 Base-Backbone interact. energy: -0.206 local terms energy: -57.698520 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -15.511 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -12.479 tors. eta vs tors. theta energy: -7.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -144.338698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.338698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.338698 (E_RNA) where: Base-Base interactions energy: -80.331 where: short stacking energy: -34.748 Base-Backbone interact. energy: -0.156 local terms energy: -63.851095 where: bonds (distance) C4'-P energy: -15.940 bonds (distance) P-C4' energy: -16.420 flat angles C4'-P-C4' energy: -16.998 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -6.200 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: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -98.845878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.845878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.845878 (E_RNA) where: Base-Base interactions energy: -44.733 where: short stacking energy: -32.181 Base-Backbone interact. energy: -0.043 local terms energy: -54.070229 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -84.173837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.173837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.173837 (E_RNA) where: Base-Base interactions energy: -34.787 where: short stacking energy: -17.973 Base-Backbone interact. energy: 0.585 local terms energy: -49.971729 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -13.370 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -207.658704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.658704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.658704 (E_RNA) where: Base-Base interactions energy: -135.447 where: short stacking energy: -60.781 Base-Backbone interact. energy: -0.857 local terms energy: -71.354698 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -16.523 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -13.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -185.425387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.425387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.425387 (E_RNA) where: Base-Base interactions energy: -109.670 where: short stacking energy: -63.063 Base-Backbone interact. energy: -0.065 local terms energy: -75.689993 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -18.716 flat angles P-C4'-P energy: -13.667 tors. eta vs tors. theta energy: -16.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -190.804853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.804853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.804853 (E_RNA) where: Base-Base interactions energy: -115.215 where: short stacking energy: -77.047 Base-Backbone interact. energy: -0.005 local terms energy: -75.585106 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -20.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -168.323280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.323280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.323280 (E_RNA) where: Base-Base interactions energy: -111.100 where: short stacking energy: -47.517 Base-Backbone interact. energy: -0.119 local terms energy: -57.104326 where: bonds (distance) C4'-P energy: -17.746 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -164.118568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.118568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.118568 (E_RNA) where: Base-Base interactions energy: -99.806 where: short stacking energy: -54.690 Base-Backbone interact. energy: -0.004 local terms energy: -64.308880 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -17.654 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -14.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -160.292501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.292501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.292501 (E_RNA) where: Base-Base interactions energy: -93.578 where: short stacking energy: -46.248 Base-Backbone interact. energy: -0.797 local terms energy: -65.917817 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -17.178 flat angles C4'-P-C4' energy: -16.520 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -11.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -151.472329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.472329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.472329 (E_RNA) where: Base-Base interactions energy: -94.359 where: short stacking energy: -45.219 Base-Backbone interact. energy: -0.267 local terms energy: -56.846614 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -12.583 tors. eta vs tors. theta energy: -12.994 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: 3 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -165.267150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.267150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.267150 (E_RNA) where: Base-Base interactions energy: -102.786 where: short stacking energy: -54.530 Base-Backbone interact. energy: -0.085 local terms energy: -62.396046 where: bonds (distance) C4'-P energy: -8.353 bonds (distance) P-C4' energy: -17.598 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -15.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -105.745343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.745343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.745343 (E_RNA) where: Base-Base interactions energy: -46.449 where: short stacking energy: -36.903 Base-Backbone interact. energy: -0.015 local terms energy: -59.281629 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -9.594 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -10.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -80.026148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.026148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.026148 (E_RNA) where: Base-Base interactions energy: -41.964 where: short stacking energy: -29.310 Base-Backbone interact. energy: 0.921 local terms energy: -38.982889 where: bonds (distance) C4'-P energy: -11.212 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -203.054998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.054998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.054998 (E_RNA) where: Base-Base interactions energy: -131.428 where: short stacking energy: -64.555 Base-Backbone interact. energy: -0.066 local terms energy: -71.560395 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -15.164 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -18.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -200.864378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.864378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.864378 (E_RNA) where: Base-Base interactions energy: -127.305 where: short stacking energy: -67.277 Base-Backbone interact. energy: -0.051 local terms energy: -73.509120 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -16.333 flat angles C4'-P-C4' energy: -18.022 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -16.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -173.674184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.674184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.674184 (E_RNA) where: Base-Base interactions energy: -113.342 where: short stacking energy: -55.803 Base-Backbone interact. energy: 0.822 local terms energy: -61.154085 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -8.370 flat angles C4'-P-C4' energy: -18.309 flat angles P-C4'-P energy: -10.443 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -184.110540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.110540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.110540 (E_RNA) where: Base-Base interactions energy: -108.775 where: short stacking energy: -71.043 Base-Backbone interact. energy: -0.001 local terms energy: -75.334963 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -8.709 tors. eta vs tors. theta energy: -19.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -148.535932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.535932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.535932 (E_RNA) where: Base-Base interactions energy: -87.952 where: short stacking energy: -45.776 Base-Backbone interact. energy: -0.040 local terms energy: -60.544419 where: bonds (distance) C4'-P energy: -14.599 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -9.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -152.611227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.611227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.611227 (E_RNA) where: Base-Base interactions energy: -101.411 where: short stacking energy: -47.668 Base-Backbone interact. energy: -0.096 local terms energy: -51.104097 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -10.379 flat angles C4'-P-C4' energy: -9.668 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -9.263 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: 7, replica: 3 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -144.253962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.253962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.253962 (E_RNA) where: Base-Base interactions energy: -92.125 where: short stacking energy: -50.677 Base-Backbone interact. energy: -0.128 local terms energy: -52.000943 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -9.907 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -7.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -149.966042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.966042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.966042 (E_RNA) where: Base-Base interactions energy: -89.302 where: short stacking energy: -46.473 Base-Backbone interact. energy: -0.592 local terms energy: -60.072949 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -12.822 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -11.271 tors. eta vs tors. theta energy: -8.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -87.147977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.147977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.147977 (E_RNA) where: Base-Base interactions energy: -36.046 where: short stacking energy: -33.851 Base-Backbone interact. energy: -0.263 local terms energy: -50.839514 where: bonds (distance) C4'-P energy: -11.966 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -7.757 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -88.848627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.848627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.848627 (E_RNA) where: Base-Base interactions energy: -31.484 where: short stacking energy: -31.366 Base-Backbone interact. energy: -0.016 local terms energy: -57.348806 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -6.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -207.835351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.835351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.835351 (E_RNA) where: Base-Base interactions energy: -130.766 where: short stacking energy: -65.951 Base-Backbone interact. energy: -0.278 local terms energy: -76.791052 where: bonds (distance) C4'-P energy: -17.179 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -15.272 flat angles P-C4'-P energy: -12.764 tors. eta vs tors. theta energy: -17.118 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: 463 Temperature: 0.950000 Total energy: -191.386612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.386612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.386612 (E_RNA) where: Base-Base interactions energy: -118.234 where: short stacking energy: -69.882 Base-Backbone interact. energy: -0.408 local terms energy: -72.744498 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -12.692 tors. eta vs tors. theta energy: -17.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -175.828734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.828734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.828734 (E_RNA) where: Base-Base interactions energy: -112.423 where: short stacking energy: -64.834 Base-Backbone interact. energy: -0.035 local terms energy: -63.370352 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -167.960870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.960870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.960870 (E_RNA) where: Base-Base interactions energy: -108.819 where: short stacking energy: -60.633 Base-Backbone interact. energy: 0.264 local terms energy: -59.406628 where: bonds (distance) C4'-P energy: -16.741 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -179.889753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.889753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.889753 (E_RNA) where: Base-Base interactions energy: -108.040 where: short stacking energy: -65.755 Base-Backbone interact. energy: -0.209 local terms energy: -71.640628 where: bonds (distance) C4'-P energy: -11.312 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -17.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -167.534793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.534793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.534793 (E_RNA) where: Base-Base interactions energy: -107.397 where: short stacking energy: -41.767 Base-Backbone interact. energy: -0.385 local terms energy: -59.753510 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -16.854 flat angles C4'-P-C4' energy: -13.679 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -159.147621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.147621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.147621 (E_RNA) where: Base-Base interactions energy: -100.767 where: short stacking energy: -57.452 Base-Backbone interact. energy: -0.088 local terms energy: -58.292680 where: bonds (distance) C4'-P energy: -9.359 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -15.383 flat angles P-C4'-P energy: -7.119 tors. eta vs tors. theta energy: -11.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -137.438497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.438497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.438497 (E_RNA) where: Base-Base interactions energy: -77.967 where: short stacking energy: -40.396 Base-Backbone interact. energy: -0.486 local terms energy: -58.985482 where: bonds (distance) C4'-P energy: -14.765 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -7.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -70.569729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.569729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.569729 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -24.051 Base-Backbone interact. energy: -0.057 local terms energy: -45.395371 where: bonds (distance) C4'-P energy: -9.710 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: 0.225 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: 463 Temperature: 1.350000 Total energy: -76.929809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.929809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.929809 (E_RNA) where: Base-Base interactions energy: -33.288 where: short stacking energy: -29.767 Base-Backbone interact. energy: -0.054 local terms energy: -43.587220 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -210.909754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.909754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.909754 (E_RNA) where: Base-Base interactions energy: -133.343 where: short stacking energy: -74.479 Base-Backbone interact. energy: 0.736 local terms energy: -78.302041 where: bonds (distance) C4'-P energy: -15.597 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -19.302 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: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -211.246459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.246459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.246459 (E_RNA) where: Base-Base interactions energy: -131.076 where: short stacking energy: -70.796 Base-Backbone interact. energy: -0.242 local terms energy: -79.927837 where: bonds (distance) C4'-P energy: -17.017 bonds (distance) P-C4' energy: -17.546 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -20.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -166.802441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.802441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.802441 (E_RNA) where: Base-Base interactions energy: -99.386 where: short stacking energy: -56.157 Base-Backbone interact. energy: -0.072 local terms energy: -67.344798 where: bonds (distance) C4'-P energy: -11.504 bonds (distance) P-C4' energy: -15.179 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -14.072 tors. eta vs tors. theta energy: -11.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -181.689154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.689154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.689154 (E_RNA) where: Base-Base interactions energy: -109.603 where: short stacking energy: -63.677 Base-Backbone interact. energy: -0.025 local terms energy: -72.060847 where: bonds (distance) C4'-P energy: -15.101 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -16.481 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -18.802 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: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -185.408648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.408648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.408648 (E_RNA) where: Base-Base interactions energy: -118.003 where: short stacking energy: -58.698 Base-Backbone interact. energy: -0.159 local terms energy: -67.247211 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -13.824 tors. eta vs tors. theta energy: -15.409 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: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -155.828141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.828141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.828141 (E_RNA) where: Base-Base interactions energy: -91.221 where: short stacking energy: -48.862 Base-Backbone interact. energy: -0.155 local terms energy: -64.452291 where: bonds (distance) C4'-P energy: -17.059 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -145.143870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.143870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.143870 (E_RNA) where: Base-Base interactions energy: -88.608 where: short stacking energy: -44.670 Base-Backbone interact. energy: -0.171 local terms energy: -56.365690 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -16.304 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -152.254902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.254902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.254902 (E_RNA) where: Base-Base interactions energy: -91.968 where: short stacking energy: -41.811 Base-Backbone interact. energy: -0.061 local terms energy: -60.225875 where: bonds (distance) C4'-P energy: -10.087 bonds (distance) P-C4' energy: -11.061 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -12.554 tors. eta vs tors. theta energy: -11.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -85.484268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.484268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.484268 (E_RNA) where: Base-Base interactions energy: -40.378 where: short stacking energy: -31.612 Base-Backbone interact. energy: -0.199 local terms energy: -44.907479 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -9.682 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -9.856 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -73.569631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.569631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.569631 (E_RNA) where: Base-Base interactions energy: -24.928 where: short stacking energy: -23.308 Base-Backbone interact. energy: -0.353 local terms energy: -48.288694 where: bonds (distance) C4'-P energy: -14.165 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: 1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -210.412740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.412740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.412740 (E_RNA) where: Base-Base interactions energy: -132.725 where: short stacking energy: -65.737 Base-Backbone interact. energy: -0.179 local terms energy: -77.509011 where: bonds (distance) C4'-P energy: -16.240 bonds (distance) P-C4' energy: -17.181 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -12.252 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -215.578008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.578008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.578008 (E_RNA) where: Base-Base interactions energy: -140.636 where: short stacking energy: -63.061 Base-Backbone interact. energy: -0.379 local terms energy: -74.563318 where: bonds (distance) C4'-P energy: -16.413 bonds (distance) P-C4' energy: -16.857 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -16.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -165.406622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.406622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.406622 (E_RNA) where: Base-Base interactions energy: -95.407 where: short stacking energy: -52.296 Base-Backbone interact. energy: -0.009 local terms energy: -69.990750 where: bonds (distance) C4'-P energy: -16.595 bonds (distance) P-C4' energy: -13.041 flat angles C4'-P-C4' energy: -15.660 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -14.164 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: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -186.592973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.592973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.592973 (E_RNA) where: Base-Base interactions energy: -109.607 where: short stacking energy: -56.790 Base-Backbone interact. energy: -0.021 local terms energy: -76.964927 where: bonds (distance) C4'-P energy: -17.095 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -15.104 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -16.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -166.950670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.950670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.950670 (E_RNA) where: Base-Base interactions energy: -95.117 where: short stacking energy: -53.274 Base-Backbone interact. energy: -0.129 local terms energy: -71.704652 where: bonds (distance) C4'-P energy: -17.096 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -16.054 flat angles P-C4'-P energy: -12.945 tors. eta vs tors. theta energy: -11.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -157.275694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.275694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.275694 (E_RNA) where: Base-Base interactions energy: -88.943 where: short stacking energy: -46.056 Base-Backbone interact. energy: -0.020 local terms energy: -68.312470 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -14.030 flat angles C4'-P-C4' energy: -11.729 flat angles P-C4'-P energy: -14.065 tors. eta vs tors. theta energy: -13.428 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: 3 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -157.360260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.360260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.360260 (E_RNA) where: Base-Base interactions energy: -95.615 where: short stacking energy: -53.595 Base-Backbone interact. energy: 0.015 local terms energy: -61.760605 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -10.958 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -13.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -147.666059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.666059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.666059 (E_RNA) where: Base-Base interactions energy: -87.464 where: short stacking energy: -42.622 Base-Backbone interact. energy: 0.796 local terms energy: -60.997393 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -7.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -91.441778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.441778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.441778 (E_RNA) where: Base-Base interactions energy: -42.533 where: short stacking energy: -32.219 Base-Backbone interact. energy: -0.824 local terms energy: -48.085023 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -10.928 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -83.010029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.010029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.010029 (E_RNA) where: Base-Base interactions energy: -30.259 where: short stacking energy: -30.259 Base-Backbone interact. energy: -0.013 local terms energy: -52.738137 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -10.432 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -10.628 tors. eta vs tors. theta energy: -7.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -216.382026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.382026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.382026 (E_RNA) where: Base-Base interactions energy: -140.846 where: short stacking energy: -69.827 Base-Backbone interact. energy: -0.290 local terms energy: -75.246457 where: bonds (distance) C4'-P energy: -12.159 bonds (distance) P-C4' energy: -15.940 flat angles C4'-P-C4' energy: -14.444 flat angles P-C4'-P energy: -12.492 tors. eta vs tors. theta energy: -20.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -217.157995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.157995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.157995 (E_RNA) where: Base-Base interactions energy: -142.674 where: short stacking energy: -70.041 Base-Backbone interact. energy: -0.541 local terms energy: -73.942720 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -17.442 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -11.600 tors. eta vs tors. theta energy: -18.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -184.934582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.934582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.934582 (E_RNA) where: Base-Base interactions energy: -112.434 where: short stacking energy: -59.540 Base-Backbone interact. energy: -0.036 local terms energy: -72.464536 where: bonds (distance) C4'-P energy: -17.477 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -17.141 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -162.056755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.056755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.056755 (E_RNA) where: Base-Base interactions energy: -99.009 where: short stacking energy: -59.334 Base-Backbone interact. energy: -0.034 local terms energy: -63.013797 where: bonds (distance) C4'-P energy: -8.767 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -13.711 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: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -164.286584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.286584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.286584 (E_RNA) where: Base-Base interactions energy: -101.306 where: short stacking energy: -56.141 Base-Backbone interact. energy: -0.089 local terms energy: -62.891642 where: bonds (distance) C4'-P energy: -10.066 bonds (distance) P-C4' energy: -13.122 flat angles C4'-P-C4' energy: -17.709 flat angles P-C4'-P energy: -8.188 tors. eta vs tors. theta energy: -13.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -149.308859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.308859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.308859 (E_RNA) where: Base-Base interactions energy: -90.919 where: short stacking energy: -39.175 Base-Backbone interact. energy: -0.254 local terms energy: -58.135664 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -153.022588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.022588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.022588 (E_RNA) where: Base-Base interactions energy: -96.056 where: short stacking energy: -50.273 Base-Backbone interact. energy: -0.332 local terms energy: -56.634448 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -16.258 flat angles C4'-P-C4' energy: -10.960 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -12.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -151.340950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.340950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.340950 (E_RNA) where: Base-Base interactions energy: -89.424 where: short stacking energy: -51.843 Base-Backbone interact. energy: -0.293 local terms energy: -61.624409 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -15.641 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -11.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -84.122603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.122603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.122603 (E_RNA) where: Base-Base interactions energy: -27.657 where: short stacking energy: -27.657 Base-Backbone interact. energy: -0.078 local terms energy: -56.387739 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -6.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -79.734126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.734126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.734126 (E_RNA) where: Base-Base interactions energy: -35.658 where: short stacking energy: -32.043 Base-Backbone interact. energy: -0.009 local terms energy: -44.066578 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -14.720 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -210.110431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.110431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.110431 (E_RNA) where: Base-Base interactions energy: -140.798 where: short stacking energy: -71.465 Base-Backbone interact. energy: -0.106 local terms energy: -69.206927 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -12.275 tors. eta vs tors. theta energy: -14.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -229.683604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.683604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.683604 (E_RNA) where: Base-Base interactions energy: -150.432 where: short stacking energy: -74.607 Base-Backbone interact. energy: -0.792 local terms energy: -78.460565 where: bonds (distance) C4'-P energy: -15.578 bonds (distance) P-C4' energy: -14.752 flat angles C4'-P-C4' energy: -15.084 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -20.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -181.047569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.047569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.047569 (E_RNA) where: Base-Base interactions energy: -105.387 where: short stacking energy: -61.722 Base-Backbone interact. energy: -0.041 local terms energy: -75.619166 where: bonds (distance) C4'-P energy: -15.668 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -16.612 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -20.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -155.138905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.138905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.138905 (E_RNA) where: Base-Base interactions energy: -101.335 where: short stacking energy: -48.080 Base-Backbone interact. energy: -0.412 local terms energy: -53.391417 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -165.742817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.742817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.742817 (E_RNA) where: Base-Base interactions energy: -100.225 where: short stacking energy: -58.778 Base-Backbone interact. energy: -0.116 local terms energy: -65.401600 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -17.690 flat angles P-C4'-P energy: -12.148 tors. eta vs tors. theta energy: -11.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -145.747455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.747455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.747455 (E_RNA) where: Base-Base interactions energy: -98.811 where: short stacking energy: -46.786 Base-Backbone interact. energy: -0.156 local terms energy: -46.780730 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -11.788 tors. eta vs tors. theta energy: -9.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -162.344683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.344683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.344683 (E_RNA) where: Base-Base interactions energy: -97.757 where: short stacking energy: -56.285 Base-Backbone interact. energy: -0.012 local terms energy: -64.575858 where: bonds (distance) C4'-P energy: -14.322 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -8.544 tors. eta vs tors. theta energy: -15.092 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: 3 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -150.785240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.785240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.785240 (E_RNA) where: Base-Base interactions energy: -89.567 where: short stacking energy: -55.656 Base-Backbone interact. energy: 0.390 local terms energy: -61.608585 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -15.218 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -13.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -86.084131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.084131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.084131 (E_RNA) where: Base-Base interactions energy: -26.795 where: short stacking energy: -25.065 Base-Backbone interact. energy: -0.013 local terms energy: -59.276243 where: bonds (distance) C4'-P energy: -12.415 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -94.453392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.453392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.453392 (E_RNA) where: Base-Base interactions energy: -36.238 where: short stacking energy: -32.267 Base-Backbone interact. energy: -0.066 local terms energy: -58.148507 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -13.806 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -223.642043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.642043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.642043 (E_RNA) where: Base-Base interactions energy: -148.152 where: short stacking energy: -71.397 Base-Backbone interact. energy: -0.527 local terms energy: -74.963652 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -16.147 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -19.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -194.239493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.239493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.239493 (E_RNA) where: Base-Base interactions energy: -121.969 where: short stacking energy: -56.803 Base-Backbone interact. energy: 0.531 local terms energy: -72.801929 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -17.099 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -16.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -175.535532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.535532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.535532 (E_RNA) where: Base-Base interactions energy: -103.356 where: short stacking energy: -65.443 Base-Backbone interact. energy: -0.007 local terms energy: -72.172802 where: bonds (distance) C4'-P energy: -15.845 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -19.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -177.444646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.444646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.444646 (E_RNA) where: Base-Base interactions energy: -110.624 where: short stacking energy: -65.608 Base-Backbone interact. energy: 0.763 local terms energy: -67.583542 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -20.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -162.349034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.349034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.349034 (E_RNA) where: Base-Base interactions energy: -102.336 where: short stacking energy: -45.915 Base-Backbone interact. energy: 1.076 local terms energy: -61.088876 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -12.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -160.233784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.233784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.233784 (E_RNA) where: Base-Base interactions energy: -100.168 where: short stacking energy: -55.927 Base-Backbone interact. energy: -0.054 local terms energy: -60.011526 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -7.443 tors. eta vs tors. theta energy: -13.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -162.642478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.642478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.642478 (E_RNA) where: Base-Base interactions energy: -97.490 where: short stacking energy: -46.511 Base-Backbone interact. energy: 0.169 local terms energy: -65.321522 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -13.567 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: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -148.930069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.930069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.930069 (E_RNA) where: Base-Base interactions energy: -87.402 where: short stacking energy: -33.970 Base-Backbone interact. energy: -0.166 local terms energy: -61.362172 where: bonds (distance) C4'-P energy: -17.195 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -85.470653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.470653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.470653 (E_RNA) where: Base-Base interactions energy: -35.281 where: short stacking energy: -34.844 Base-Backbone interact. energy: -0.044 local terms energy: -50.145665 where: bonds (distance) C4'-P energy: -8.017 bonds (distance) P-C4' energy: -13.305 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -80.553331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.553331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.553331 (E_RNA) where: Base-Base interactions energy: -28.747 where: short stacking energy: -28.747 Base-Backbone interact. energy: -0.135 local terms energy: -51.671105 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -10.735 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -225.079263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.079263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.079263 (E_RNA) where: Base-Base interactions energy: -144.503 where: short stacking energy: -72.251 Base-Backbone interact. energy: -0.800 local terms energy: -79.776002 where: bonds (distance) C4'-P energy: -16.731 bonds (distance) P-C4' energy: -17.056 flat angles C4'-P-C4' energy: -16.835 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -18.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -202.887551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.887551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.887551 (E_RNA) where: Base-Base interactions energy: -129.231 where: short stacking energy: -65.591 Base-Backbone interact. energy: -0.007 local terms energy: -73.648880 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -15.129 flat angles C4'-P-C4' energy: -17.683 flat angles P-C4'-P energy: -11.679 tors. eta vs tors. theta energy: -16.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -167.090254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.090254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.090254 (E_RNA) where: Base-Base interactions energy: -101.550 where: short stacking energy: -59.293 Base-Backbone interact. energy: 3.268 local terms energy: -68.808162 where: bonds (distance) C4'-P energy: -15.617 bonds (distance) P-C4' energy: -16.765 flat angles C4'-P-C4' energy: -15.643 flat angles P-C4'-P energy: -7.778 tors. eta vs tors. theta energy: -13.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -174.893415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.893415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.893415 (E_RNA) where: Base-Base interactions energy: -110.250 where: short stacking energy: -62.805 Base-Backbone interact. energy: -0.029 local terms energy: -64.614429 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -9.200 tors. eta vs tors. theta energy: -13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -175.085858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.085858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.085858 (E_RNA) where: Base-Base interactions energy: -101.119 where: short stacking energy: -57.714 Base-Backbone interact. energy: -0.046 local terms energy: -73.920793 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -13.675 flat angles C4'-P-C4' energy: -18.392 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -16.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -159.433614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.433614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.433614 (E_RNA) where: Base-Base interactions energy: -95.257 where: short stacking energy: -51.401 Base-Backbone interact. energy: -0.060 local terms energy: -64.116196 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -8.777 tors. eta vs tors. theta energy: -11.005 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: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -148.298812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.298812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.298812 (E_RNA) where: Base-Base interactions energy: -91.895 where: short stacking energy: -46.765 Base-Backbone interact. energy: -0.253 local terms energy: -56.150332 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -14.431 flat angles C4'-P-C4' energy: -13.665 flat angles P-C4'-P energy: -8.839 tors. eta vs tors. theta energy: -7.313 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: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -152.093294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.093294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.093294 (E_RNA) where: Base-Base interactions energy: -94.315 where: short stacking energy: -55.312 Base-Backbone interact. energy: -0.014 local terms energy: -57.763730 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -9.775 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -9.401 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: 9, replica: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -83.843697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.843697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.843697 (E_RNA) where: Base-Base interactions energy: -35.047 where: short stacking energy: -29.950 Base-Backbone interact. energy: -0.182 local terms energy: -48.614816 where: bonds (distance) C4'-P energy: -5.635 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -83.334595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.334595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.334595 (E_RNA) where: Base-Base interactions energy: -32.784 where: short stacking energy: -31.266 Base-Backbone interact. energy: -0.034 local terms energy: -50.516730 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -15.359 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -227.176494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.176494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.176494 (E_RNA) where: Base-Base interactions energy: -151.708 where: short stacking energy: -69.790 Base-Backbone interact. energy: -0.508 local terms energy: -74.960935 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -17.062 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -19.098 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: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -196.893889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.893889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.893889 (E_RNA) where: Base-Base interactions energy: -119.575 where: short stacking energy: -71.536 Base-Backbone interact. energy: -0.045 local terms energy: -77.274170 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -13.226 tors. eta vs tors. theta energy: -24.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -195.762079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.762079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.762079 (E_RNA) where: Base-Base interactions energy: -111.868 where: short stacking energy: -70.936 Base-Backbone interact. energy: -0.004 local terms energy: -83.889336 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -18.100 flat angles P-C4'-P energy: -14.346 tors. eta vs tors. theta energy: -21.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -164.452961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.452961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.452961 (E_RNA) where: Base-Base interactions energy: -96.724 where: short stacking energy: -55.226 Base-Backbone interact. energy: -0.237 local terms energy: -67.491314 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -17.179 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -9.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -168.470242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.470242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.470242 (E_RNA) where: Base-Base interactions energy: -105.309 where: short stacking energy: -63.598 Base-Backbone interact. energy: -0.097 local terms energy: -63.064266 where: bonds (distance) C4'-P energy: -11.402 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -11.276 tors. eta vs tors. theta energy: -11.188 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: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -146.621180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.621180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.621180 (E_RNA) where: Base-Base interactions energy: -89.915 where: short stacking energy: -42.197 Base-Backbone interact. energy: -0.012 local terms energy: -56.694313 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -11.786 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: -10.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -146.680588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.680588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.680588 (E_RNA) where: Base-Base interactions energy: -91.583 where: short stacking energy: -42.133 Base-Backbone interact. energy: -0.045 local terms energy: -55.053229 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -143.341141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.341141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.341141 (E_RNA) where: Base-Base interactions energy: -85.327 where: short stacking energy: -42.035 Base-Backbone interact. energy: -0.357 local terms energy: -57.656668 where: bonds (distance) C4'-P energy: -15.217 bonds (distance) P-C4' energy: -14.781 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -8.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -84.609421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.609421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.609421 (E_RNA) where: Base-Base interactions energy: -40.236 where: short stacking energy: -17.469 Base-Backbone interact. energy: -0.379 local terms energy: -43.995094 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -15.443 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: 2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -76.211388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.211388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.211388 (E_RNA) where: Base-Base interactions energy: -23.869 where: short stacking energy: -19.903 Base-Backbone interact. energy: -0.097 local terms energy: -52.245026 where: bonds (distance) C4'-P energy: -15.585 bonds (distance) P-C4' energy: -10.406 flat angles C4'-P-C4' energy: -12.445 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -5.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -220.754712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.754712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.754712 (E_RNA) where: Base-Base interactions energy: -145.017 where: short stacking energy: -59.488 Base-Backbone interact. energy: 1.420 local terms energy: -77.158353 where: bonds (distance) C4'-P energy: -15.183 bonds (distance) P-C4' energy: -17.102 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -12.306 tors. eta vs tors. theta energy: -17.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -194.287707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.287707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.287707 (E_RNA) where: Base-Base interactions energy: -117.447 where: short stacking energy: -73.633 Base-Backbone interact. energy: -0.078 local terms energy: -76.762703 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -16.442 flat angles P-C4'-P energy: -9.597 tors. eta vs tors. theta energy: -22.926 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: 1 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -179.302542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.302542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.302542 (E_RNA) where: Base-Base interactions energy: -104.380 where: short stacking energy: -60.599 Base-Backbone interact. energy: -0.003 local terms energy: -74.919653 where: bonds (distance) C4'-P energy: -16.366 bonds (distance) P-C4' energy: -15.599 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -13.784 tors. eta vs tors. theta energy: -14.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -171.729458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.729458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.729458 (E_RNA) where: Base-Base interactions energy: -109.741 where: short stacking energy: -58.779 Base-Backbone interact. energy: -0.112 local terms energy: -61.876815 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -8.348 tors. eta vs tors. theta energy: -12.770 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: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -173.411754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.411754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.411754 (E_RNA) where: Base-Base interactions energy: -102.003 where: short stacking energy: -61.510 Base-Backbone interact. energy: 1.197 local terms energy: -72.606226 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -17.249 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -13.132 tors. eta vs tors. theta energy: -17.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -164.523356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.523356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.523356 (E_RNA) where: Base-Base interactions energy: -100.476 where: short stacking energy: -54.689 Base-Backbone interact. energy: -0.543 local terms energy: -63.503917 where: bonds (distance) C4'-P energy: -13.909 bonds (distance) P-C4' energy: -12.516 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -13.881 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: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -144.963834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.963834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.963834 (E_RNA) where: Base-Base interactions energy: -86.952 where: short stacking energy: -40.596 Base-Backbone interact. energy: -0.782 local terms energy: -57.229868 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -14.150 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -5.456 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: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -145.649536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.649536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.649536 (E_RNA) where: Base-Base interactions energy: -87.037 where: short stacking energy: -45.698 Base-Backbone interact. energy: -0.165 local terms energy: -58.447869 where: bonds (distance) C4'-P energy: -15.186 bonds (distance) P-C4' energy: -11.670 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -12.172 tors. eta vs tors. theta energy: -10.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -85.337581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.337581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.337581 (E_RNA) where: Base-Base interactions energy: -38.376 where: short stacking energy: -38.376 Base-Backbone interact. energy: -0.045 local terms energy: -46.916579 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -16.636 flat angles C4'-P-C4' energy: -10.591 flat angles P-C4'-P energy: 0.027 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -83.429763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.429763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.429763 (E_RNA) where: Base-Base interactions energy: -27.661 where: short stacking energy: -25.974 Base-Backbone interact. energy: -0.162 local terms energy: -55.607628 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -188.680604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.680604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.680604 (E_RNA) where: Base-Base interactions energy: -111.835 where: short stacking energy: -68.643 Base-Backbone interact. energy: -0.289 local terms energy: -76.557025 where: bonds (distance) C4'-P energy: -16.749 bonds (distance) P-C4' energy: -17.063 flat angles C4'-P-C4' energy: -17.035 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -18.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -213.372502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.372502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.372502 (E_RNA) where: Base-Base interactions energy: -140.438 where: short stacking energy: -70.757 Base-Backbone interact. energy: -0.489 local terms energy: -72.446132 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -16.046 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -15.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -163.276659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.276659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.276659 (E_RNA) where: Base-Base interactions energy: -94.118 where: short stacking energy: -42.166 Base-Backbone interact. energy: -0.303 local terms energy: -68.855242 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -16.360 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -12.613 tors. eta vs tors. theta energy: -8.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -182.343464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.343464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.343464 (E_RNA) where: Base-Base interactions energy: -108.923 where: short stacking energy: -60.085 Base-Backbone interact. energy: -0.126 local terms energy: -73.294367 where: bonds (distance) C4'-P energy: -15.348 bonds (distance) P-C4' energy: -16.489 flat angles C4'-P-C4' energy: -16.935 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -12.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -159.473040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.473040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.473040 (E_RNA) where: Base-Base interactions energy: -99.851 where: short stacking energy: -53.558 Base-Backbone interact. energy: -0.015 local terms energy: -59.606554 where: bonds (distance) C4'-P energy: -8.741 bonds (distance) P-C4' energy: -14.784 flat angles C4'-P-C4' energy: -15.808 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -11.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -148.143128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.143128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.143128 (E_RNA) where: Base-Base interactions energy: -93.538 where: short stacking energy: -50.622 Base-Backbone interact. energy: -0.214 local terms energy: -54.390573 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -10.648 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -9.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -154.652786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.652786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.652786 (E_RNA) where: Base-Base interactions energy: -95.933 where: short stacking energy: -42.527 Base-Backbone interact. energy: -0.695 local terms energy: -58.024812 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -14.796 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -10.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -148.519674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.519674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.519674 (E_RNA) where: Base-Base interactions energy: -93.018 where: short stacking energy: -44.258 Base-Backbone interact. energy: -0.359 local terms energy: -55.143166 where: bonds (distance) C4'-P energy: -7.185 bonds (distance) P-C4' energy: -16.721 flat angles C4'-P-C4' energy: -10.062 flat angles P-C4'-P energy: -11.750 tors. eta vs tors. theta energy: -9.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -91.156165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.156165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.156165 (E_RNA) where: Base-Base interactions energy: -34.717 where: short stacking energy: -33.515 Base-Backbone interact. energy: -0.108 local terms energy: -56.331447 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -10.472 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -8.125 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: 5 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -72.246970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.246970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.246970 (E_RNA) where: Base-Base interactions energy: -25.025 where: short stacking energy: -22.434 Base-Backbone interact. energy: 0.188 local terms energy: -47.409864 where: bonds (distance) C4'-P energy: -8.352 bonds (distance) P-C4' energy: -14.580 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -9.922 tors. eta vs tors. theta energy: 0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -192.208122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.208122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.208122 (E_RNA) where: Base-Base interactions energy: -112.127 where: short stacking energy: -71.946 Base-Backbone interact. energy: -0.152 local terms energy: -79.928681 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -17.414 flat angles C4'-P-C4' energy: -15.907 flat angles P-C4'-P energy: -12.504 tors. eta vs tors. theta energy: -19.867 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: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -217.887991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.887991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.887991 (E_RNA) where: Base-Base interactions energy: -146.421 where: short stacking energy: -69.518 Base-Backbone interact. energy: -0.288 local terms energy: -71.178658 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -12.751 flat angles C4'-P-C4' energy: -16.542 flat angles P-C4'-P energy: -11.995 tors. eta vs tors. theta energy: -17.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -172.457140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.457140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.457140 (E_RNA) where: Base-Base interactions energy: -103.977 where: short stacking energy: -58.596 Base-Backbone interact. energy: -0.041 local terms energy: -68.439814 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -14.560 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -12.971 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: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -183.939614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.939614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.939614 (E_RNA) where: Base-Base interactions energy: -118.490 where: short stacking energy: -70.873 Base-Backbone interact. energy: 0.789 local terms energy: -66.239203 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -15.303 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -21.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -149.251201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.251201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.251201 (E_RNA) where: Base-Base interactions energy: -86.628 where: short stacking energy: -48.568 Base-Backbone interact. energy: -0.127 local terms energy: -62.496457 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -12.874 tors. eta vs tors. theta energy: -9.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -153.465523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.465523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.465523 (E_RNA) where: Base-Base interactions energy: -96.505 where: short stacking energy: -50.042 Base-Backbone interact. energy: -0.098 local terms energy: -56.862626 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -9.480 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -10.435 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: 473 Temperature: 1.200000 Total energy: -142.739243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.739243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.739243 (E_RNA) where: Base-Base interactions energy: -90.547 where: short stacking energy: -40.417 Base-Backbone interact. energy: -0.432 local terms energy: -51.760808 where: bonds (distance) C4'-P energy: -6.982 bonds (distance) P-C4' energy: -14.443 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -7.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -153.560149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.560149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.560149 (E_RNA) where: Base-Base interactions energy: -93.971 where: short stacking energy: -48.788 Base-Backbone interact. energy: 0.116 local terms energy: -59.704693 where: bonds (distance) C4'-P energy: -15.481 bonds (distance) P-C4' energy: -13.946 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -8.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -82.007074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.007074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.007074 (E_RNA) where: Base-Base interactions energy: -36.895 where: short stacking energy: -26.773 Base-Backbone interact. energy: 0.251 local terms energy: -45.363090 where: bonds (distance) C4'-P energy: -13.896 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -77.406793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.406793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.406793 (E_RNA) where: Base-Base interactions energy: -28.903 where: short stacking energy: -22.179 Base-Backbone interact. energy: -0.059 local terms energy: -48.444900 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -17.200 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -11.492 tors. eta vs tors. theta energy: 5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -220.769690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.769690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.769690 (E_RNA) where: Base-Base interactions energy: -145.131 where: short stacking energy: -68.859 Base-Backbone interact. energy: -0.095 local terms energy: -75.544157 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -16.040 flat angles C4'-P-C4' energy: -16.732 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -17.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -194.275258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.275258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.275258 (E_RNA) where: Base-Base interactions energy: -121.009 where: short stacking energy: -66.712 Base-Backbone interact. energy: -0.076 local terms energy: -73.190247 where: bonds (distance) C4'-P energy: -16.297 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -12.477 tors. eta vs tors. theta energy: -18.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -176.717040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.717040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.717040 (E_RNA) where: Base-Base interactions energy: -106.200 where: short stacking energy: -59.141 Base-Backbone interact. energy: 0.455 local terms energy: -70.972332 where: bonds (distance) C4'-P energy: -16.281 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -16.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -185.215898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.215898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.215898 (E_RNA) where: Base-Base interactions energy: -114.339 where: short stacking energy: -71.665 Base-Backbone interact. energy: -0.394 local terms energy: -70.483439 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -16.836 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: -19.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -162.951133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.951133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.951133 (E_RNA) where: Base-Base interactions energy: -99.502 where: short stacking energy: -54.321 Base-Backbone interact. energy: -0.057 local terms energy: -63.391826 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -14.063 tors. eta vs tors. theta energy: -13.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -173.295641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.295641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.295641 (E_RNA) where: Base-Base interactions energy: -110.118 where: short stacking energy: -62.284 Base-Backbone interact. energy: -0.070 local terms energy: -63.107676 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -18.675 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -14.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -147.522300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.522300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.522300 (E_RNA) where: Base-Base interactions energy: -87.499 where: short stacking energy: -46.587 Base-Backbone interact. energy: -0.141 local terms energy: -59.882307 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -9.211 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -9.752 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: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -153.809295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.809295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.809295 (E_RNA) where: Base-Base interactions energy: -101.278 where: short stacking energy: -55.304 Base-Backbone interact. energy: 0.516 local terms energy: -53.047589 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -8.660 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -7.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -84.641233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.641233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.641233 (E_RNA) where: Base-Base interactions energy: -46.995 where: short stacking energy: -17.238 Base-Backbone interact. energy: 0.189 local terms energy: -37.834838 where: bonds (distance) C4'-P energy: -15.364 bonds (distance) P-C4' energy: -15.517 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: 2.951 tors. eta vs tors. theta energy: 3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -85.157527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.157527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.157527 (E_RNA) where: Base-Base interactions energy: -31.101 where: short stacking energy: -30.480 Base-Backbone interact. energy: -0.057 local terms energy: -53.999054 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -16.556 flat angles C4'-P-C4' energy: -11.635 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -227.725557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.725557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.725557 (E_RNA) where: Base-Base interactions energy: -150.847 where: short stacking energy: -71.425 Base-Backbone interact. energy: -0.907 local terms energy: -75.971385 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -17.387 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -20.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -201.091513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.091513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.091513 (E_RNA) where: Base-Base interactions energy: -122.432 where: short stacking energy: -66.458 Base-Backbone interact. energy: -0.040 local terms energy: -78.619599 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -16.878 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -13.799 tors. eta vs tors. theta energy: -17.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -179.215528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.215528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.215528 (E_RNA) where: Base-Base interactions energy: -105.394 where: short stacking energy: -62.625 Base-Backbone interact. energy: -0.064 local terms energy: -73.757825 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -13.709 tors. eta vs tors. theta energy: -17.906 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: 7 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -175.299952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.299952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.299952 (E_RNA) where: Base-Base interactions energy: -100.834 where: short stacking energy: -46.667 Base-Backbone interact. energy: -0.091 local terms energy: -74.374434 where: bonds (distance) C4'-P energy: -17.319 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -16.783 flat angles P-C4'-P energy: -12.986 tors. eta vs tors. theta energy: -11.704 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: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -165.987330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.987330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.987330 (E_RNA) where: Base-Base interactions energy: -100.480 where: short stacking energy: -51.625 Base-Backbone interact. energy: 2.277 local terms energy: -67.784020 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -16.184 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -8.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -161.128768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.128768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.128768 (E_RNA) where: Base-Base interactions energy: -100.456 where: short stacking energy: -54.384 Base-Backbone interact. energy: -0.001 local terms energy: -60.672102 where: bonds (distance) C4'-P energy: -10.669 bonds (distance) P-C4' energy: -17.553 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -12.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -155.699001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.699001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.699001 (E_RNA) where: Base-Base interactions energy: -98.504 where: short stacking energy: -55.504 Base-Backbone interact. energy: -0.047 local terms energy: -57.147264 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -7.856 flat angles C4'-P-C4' energy: -13.811 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -13.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -144.206343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.206343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.206343 (E_RNA) where: Base-Base interactions energy: -88.814 where: short stacking energy: -50.467 Base-Backbone interact. energy: -0.095 local terms energy: -55.297048 where: bonds (distance) C4'-P energy: -15.047 bonds (distance) P-C4' energy: -11.262 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: -11.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -95.212325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.212325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.212325 (E_RNA) where: Base-Base interactions energy: -46.380 where: short stacking energy: -24.480 Base-Backbone interact. energy: -0.033 local terms energy: -48.799406 where: bonds (distance) C4'-P energy: -6.564 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -15.628 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -1.667 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: 10, replica: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -81.660615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.660615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.660615 (E_RNA) where: Base-Base interactions energy: -25.322 where: short stacking energy: -25.322 Base-Backbone interact. energy: -0.036 local terms energy: -56.302427 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -16.847 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -225.667799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.667799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.667799 (E_RNA) where: Base-Base interactions energy: -149.069 where: short stacking energy: -71.576 Base-Backbone interact. energy: -1.329 local terms energy: -75.269388 where: bonds (distance) C4'-P energy: -17.097 bonds (distance) P-C4' energy: -10.226 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -13.495 tors. eta vs tors. theta energy: -22.030 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: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -213.325118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.325118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.325118 (E_RNA) where: Base-Base interactions energy: -143.821 where: short stacking energy: -69.083 Base-Backbone interact. energy: -0.005 local terms energy: -69.499244 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -18.840 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: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -177.022594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.022594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.022594 (E_RNA) where: Base-Base interactions energy: -100.997 where: short stacking energy: -52.844 Base-Backbone interact. energy: -0.102 local terms energy: -75.923528 where: bonds (distance) C4'-P energy: -17.095 bonds (distance) P-C4' energy: -16.129 flat angles C4'-P-C4' energy: -17.586 flat angles P-C4'-P energy: -11.439 tors. eta vs tors. theta energy: -13.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -165.029200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.029200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.029200 (E_RNA) where: Base-Base interactions energy: -97.366 where: short stacking energy: -44.314 Base-Backbone interact. energy: 0.835 local terms energy: -68.497588 where: bonds (distance) C4'-P energy: -15.816 bonds (distance) P-C4' energy: -16.605 flat angles C4'-P-C4' energy: -16.763 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -10.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -154.210184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.210184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.210184 (E_RNA) where: Base-Base interactions energy: -91.081 where: short stacking energy: -44.162 Base-Backbone interact. energy: -0.043 local terms energy: -63.086346 where: bonds (distance) C4'-P energy: -12.432 bonds (distance) P-C4' energy: -14.893 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -10.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -163.005116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.005116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.005116 (E_RNA) where: Base-Base interactions energy: -102.311 where: short stacking energy: -60.816 Base-Backbone interact. energy: -0.017 local terms energy: -60.677112 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -12.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -146.799223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.799223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.799223 (E_RNA) where: Base-Base interactions energy: -91.439 where: short stacking energy: -53.031 Base-Backbone interact. energy: -0.008 local terms energy: -55.352070 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -9.449 flat angles C4'-P-C4' energy: -16.698 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -12.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -147.697039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.697039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.697039 (E_RNA) where: Base-Base interactions energy: -89.014 where: short stacking energy: -43.392 Base-Backbone interact. energy: -0.179 local terms energy: -58.504055 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -13.144 tors. eta vs tors. theta energy: -14.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -89.016400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.016400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.016400 (E_RNA) where: Base-Base interactions energy: -36.345 where: short stacking energy: -31.598 Base-Backbone interact. energy: -0.335 local terms energy: -52.336373 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -11.641 flat angles P-C4'-P energy: -11.327 tors. eta vs tors. theta energy: -1.952 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: 5 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -89.198556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.198556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.198556 (E_RNA) where: Base-Base interactions energy: -32.878 where: short stacking energy: -32.463 Base-Backbone interact. energy: -0.275 local terms energy: -56.045611 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -224.700465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.700465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.700465 (E_RNA) where: Base-Base interactions energy: -147.588 where: short stacking energy: -66.583 Base-Backbone interact. energy: -0.455 local terms energy: -76.657856 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -16.114 flat angles C4'-P-C4' energy: -16.284 flat angles P-C4'-P energy: -13.060 tors. eta vs tors. theta energy: -19.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -177.364350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.364350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.364350 (E_RNA) where: Base-Base interactions energy: -111.749 where: short stacking energy: -65.228 Base-Backbone interact. energy: -0.053 local terms energy: -65.562395 where: bonds (distance) C4'-P energy: -13.061 bonds (distance) P-C4' energy: -13.173 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -11.989 tors. eta vs tors. theta energy: -13.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -207.431644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.431644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.431644 (E_RNA) where: Base-Base interactions energy: -131.693 where: short stacking energy: -62.735 Base-Backbone interact. energy: -0.567 local terms energy: -75.171668 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -11.273 tors. eta vs tors. theta energy: -17.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -164.667381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.667381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.667381 (E_RNA) where: Base-Base interactions energy: -92.367 where: short stacking energy: -49.164 Base-Backbone interact. energy: -3.065 local terms energy: -69.235244 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -18.215 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -12.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -171.992911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.992911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.992911 (E_RNA) where: Base-Base interactions energy: -108.157 where: short stacking energy: -67.647 Base-Backbone interact. energy: -0.041 local terms energy: -63.795376 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -156.644841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.644841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.644841 (E_RNA) where: Base-Base interactions energy: -92.370 where: short stacking energy: -50.093 Base-Backbone interact. energy: -0.887 local terms energy: -63.387996 where: bonds (distance) C4'-P energy: -15.978 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -11.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -159.655697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.655697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.655697 (E_RNA) where: Base-Base interactions energy: -95.748 where: short stacking energy: -51.680 Base-Backbone interact. energy: -0.133 local terms energy: -63.774329 where: bonds (distance) C4'-P energy: -15.274 bonds (distance) P-C4' energy: -16.098 flat angles C4'-P-C4' energy: -17.652 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -6.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -145.196464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.196464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.196464 (E_RNA) where: Base-Base interactions energy: -96.219 where: short stacking energy: -46.536 Base-Backbone interact. energy: 1.072 local terms energy: -50.049325 where: bonds (distance) C4'-P energy: -12.049 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -3.268 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: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -88.432278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.432278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.432278 (E_RNA) where: Base-Base interactions energy: -33.383 where: short stacking energy: -33.383 Base-Backbone interact. energy: -0.109 local terms energy: -54.940440 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -5.134 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: 5 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -75.319034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.319034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.319034 (E_RNA) where: Base-Base interactions energy: -30.930 where: short stacking energy: -19.005 Base-Backbone interact. energy: -0.812 local terms energy: -43.577670 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -17.470 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: 1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -225.937675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.937675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.937675 (E_RNA) where: Base-Base interactions energy: -149.033 where: short stacking energy: -73.986 Base-Backbone interact. energy: -0.637 local terms energy: -76.266972 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -14.536 tors. eta vs tors. theta energy: -17.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -184.510814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.510814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.510814 (E_RNA) where: Base-Base interactions energy: -107.680 where: short stacking energy: -52.558 Base-Backbone interact. energy: -0.354 local terms energy: -76.477115 where: bonds (distance) C4'-P energy: -17.336 bonds (distance) P-C4' energy: -17.669 flat angles C4'-P-C4' energy: -14.131 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -199.261476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.261476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.261476 (E_RNA) where: Base-Base interactions energy: -126.297 where: short stacking energy: -65.944 Base-Backbone interact. energy: -0.060 local terms energy: -72.904437 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -17.212 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -16.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -173.431078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.431078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.431078 (E_RNA) where: Base-Base interactions energy: -104.031 where: short stacking energy: -62.341 Base-Backbone interact. energy: -0.179 local terms energy: -69.220949 where: bonds (distance) C4'-P energy: -14.927 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -16.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -153.675071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.675071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.675071 (E_RNA) where: Base-Base interactions energy: -91.032 where: short stacking energy: -53.409 Base-Backbone interact. energy: 0.128 local terms energy: -62.770773 where: bonds (distance) C4'-P energy: -10.624 bonds (distance) P-C4' energy: -16.354 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -165.170497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.170497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.170497 (E_RNA) where: Base-Base interactions energy: -99.642 where: short stacking energy: -57.077 Base-Backbone interact. energy: -0.016 local terms energy: -65.512279 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -15.407 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -12.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -163.300290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.300290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.300290 (E_RNA) where: Base-Base interactions energy: -92.848 where: short stacking energy: -53.020 Base-Backbone interact. energy: -0.109 local terms energy: -70.344194 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -16.321 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -15.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -153.665749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.665749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.665749 (E_RNA) where: Base-Base interactions energy: -95.384 where: short stacking energy: -42.448 Base-Backbone interact. energy: -0.171 local terms energy: -58.110487 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -14.263 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -7.888 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: 9, replica: 2 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -81.555152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.555152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.555152 (E_RNA) where: Base-Base interactions energy: -26.230 where: short stacking energy: -26.203 Base-Backbone interact. energy: -1.193 local terms energy: -54.132445 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -11.842 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -68.855278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.855278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.855278 (E_RNA) where: Base-Base interactions energy: -29.742 where: short stacking energy: -18.409 Base-Backbone interact. energy: -0.420 local terms energy: -38.692975 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -14.178 flat angles P-C4'-P energy: 0.455 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -226.612688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.612688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.612688 (E_RNA) where: Base-Base interactions energy: -153.559 where: short stacking energy: -79.030 Base-Backbone interact. energy: -0.644 local terms energy: -72.410181 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -18.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -177.128228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.128228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.128228 (E_RNA) where: Base-Base interactions energy: -104.986 where: short stacking energy: -58.861 Base-Backbone interact. energy: -0.069 local terms energy: -72.073033 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -15.997 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -15.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -172.893224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.893224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.893224 (E_RNA) where: Base-Base interactions energy: -111.631 where: short stacking energy: -58.719 Base-Backbone interact. energy: 0.228 local terms energy: -61.489985 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -13.946 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -13.611 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: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -168.292220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.292220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.292220 (E_RNA) where: Base-Base interactions energy: -101.531 where: short stacking energy: -56.375 Base-Backbone interact. energy: -0.077 local terms energy: -66.684573 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -15.454 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -12.252 tors. eta vs tors. theta energy: -10.522 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: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -153.442891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.442891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.442891 (E_RNA) where: Base-Base interactions energy: -88.310 where: short stacking energy: -46.364 Base-Backbone interact. energy: -0.220 local terms energy: -64.913269 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -18.436 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -11.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -151.467453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.467453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.467453 (E_RNA) where: Base-Base interactions energy: -82.714 where: short stacking energy: -38.056 Base-Backbone interact. energy: -0.158 local terms energy: -68.594874 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -14.279 tors. eta vs tors. theta energy: -7.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -163.807855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.807855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.807855 (E_RNA) where: Base-Base interactions energy: -93.070 where: short stacking energy: -55.411 Base-Backbone interact. energy: -0.156 local terms energy: -70.581692 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -15.993 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: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -90.032758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.032758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.032758 (E_RNA) where: Base-Base interactions energy: -36.589 where: short stacking energy: -31.678 Base-Backbone interact. energy: -0.060 local terms energy: -53.384214 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -4.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -127.284605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.284605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.284605 (E_RNA) where: Base-Base interactions energy: -76.512 where: short stacking energy: -33.542 Base-Backbone interact. energy: 0.282 local terms energy: -51.054810 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -11.752 flat angles C4'-P-C4' energy: -15.684 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -81.109268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.109268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.109268 (E_RNA) where: Base-Base interactions energy: -41.705 where: short stacking energy: -40.651 Base-Backbone interact. energy: -0.238 local terms energy: -39.166823 where: bonds (distance) C4'-P energy: -7.244 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -3.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -222.916853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.916853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.916853 (E_RNA) where: Base-Base interactions energy: -150.269 where: short stacking energy: -68.214 Base-Backbone interact. energy: -1.218 local terms energy: -71.428931 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -20.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -176.075933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.075933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.075933 (E_RNA) where: Base-Base interactions energy: -105.675 where: short stacking energy: -59.332 Base-Backbone interact. energy: -0.003 local terms energy: -70.397573 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -16.501 flat angles C4'-P-C4' energy: -16.145 flat angles P-C4'-P energy: -7.554 tors. eta vs tors. theta energy: -16.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -172.609247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.609247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.609247 (E_RNA) where: Base-Base interactions energy: -105.304 where: short stacking energy: -59.046 Base-Backbone interact. energy: -0.021 local terms energy: -67.284013 where: bonds (distance) C4'-P energy: -15.731 bonds (distance) P-C4' energy: -10.820 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -17.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -169.872803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.872803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.872803 (E_RNA) where: Base-Base interactions energy: -102.006 where: short stacking energy: -48.980 Base-Backbone interact. energy: -0.404 local terms energy: -67.463204 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -157.206761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.206761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.206761 (E_RNA) where: Base-Base interactions energy: -93.960 where: short stacking energy: -43.802 Base-Backbone interact. energy: -0.283 local terms energy: -62.963086 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -14.654 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -13.285 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -152.403915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.403915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.403915 (E_RNA) where: Base-Base interactions energy: -91.956 where: short stacking energy: -46.747 Base-Backbone interact. energy: -0.107 local terms energy: -60.340805 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -16.478 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -7.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -156.586638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.586638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.586638 (E_RNA) where: Base-Base interactions energy: -92.085 where: short stacking energy: -49.594 Base-Backbone interact. energy: -0.812 local terms energy: -63.690354 where: bonds (distance) C4'-P energy: -18.251 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -9.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -95.156716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.156716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.156716 (E_RNA) where: Base-Base interactions energy: -40.908 where: short stacking energy: -35.469 Base-Backbone interact. energy: -0.190 local terms energy: -54.058836 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -16.326 flat angles C4'-P-C4' energy: -11.372 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -145.281279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.281279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.281279 (E_RNA) where: Base-Base interactions energy: -86.526 where: short stacking energy: -40.094 Base-Backbone interact. energy: -0.244 local terms energy: -58.511724 where: bonds (distance) C4'-P energy: -8.613 bonds (distance) P-C4' energy: -14.812 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -12.372 tors. eta vs tors. theta energy: -10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -82.866568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.866568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.866568 (E_RNA) where: Base-Base interactions energy: -27.768 where: short stacking energy: -27.768 Base-Backbone interact. energy: -0.584 local terms energy: -54.514478 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -19.166 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -2.277 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: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -227.169783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.169783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.169783 (E_RNA) where: Base-Base interactions energy: -150.205 where: short stacking energy: -74.660 Base-Backbone interact. energy: -0.810 local terms energy: -76.154586 where: bonds (distance) C4'-P energy: -17.079 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -18.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -180.087093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.087093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.087093 (E_RNA) where: Base-Base interactions energy: -109.137 where: short stacking energy: -61.933 Base-Backbone interact. energy: -0.153 local terms energy: -70.797350 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -18.273 flat angles P-C4'-P energy: -12.542 tors. eta vs tors. theta energy: -14.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -166.835122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.835122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.835122 (E_RNA) where: Base-Base interactions energy: -99.546 where: short stacking energy: -59.119 Base-Backbone interact. energy: -1.036 local terms energy: -66.252351 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -15.934 flat angles C4'-P-C4' energy: -16.707 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -12.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -165.031287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.031287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.031287 (E_RNA) where: Base-Base interactions energy: -102.972 where: short stacking energy: -55.865 Base-Backbone interact. energy: -0.176 local terms energy: -61.883199 where: bonds (distance) C4'-P energy: -11.543 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -14.591 flat angles P-C4'-P energy: -11.379 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -168.168926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.168926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.168926 (E_RNA) where: Base-Base interactions energy: -102.936 where: short stacking energy: -49.948 Base-Backbone interact. energy: -0.441 local terms energy: -64.791097 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -157.108773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.108773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.108773 (E_RNA) where: Base-Base interactions energy: -95.770 where: short stacking energy: -56.183 Base-Backbone interact. energy: -0.042 local terms energy: -61.296186 where: bonds (distance) C4'-P energy: -16.989 bonds (distance) P-C4' energy: -8.961 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -16.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -148.854850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.854850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.854850 (E_RNA) where: Base-Base interactions energy: -86.044 where: short stacking energy: -46.554 Base-Backbone interact. energy: -0.232 local terms energy: -62.578835 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -17.628 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -11.818 tors. eta vs tors. theta energy: -10.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -158.717913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.717913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.717913 (E_RNA) where: Base-Base interactions energy: -93.271 where: short stacking energy: -53.776 Base-Backbone interact. energy: -0.006 local terms energy: -65.440215 where: bonds (distance) C4'-P energy: -10.869 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -16.864 flat angles P-C4'-P energy: -12.082 tors. eta vs tors. theta energy: -12.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -85.762366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.762366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.762366 (E_RNA) where: Base-Base interactions energy: -35.119 where: short stacking energy: -35.119 Base-Backbone interact. energy: -0.064 local terms energy: -50.579054 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -4.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -90.132803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.132803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.132803 (E_RNA) where: Base-Base interactions energy: -46.535 where: short stacking energy: -28.664 Base-Backbone interact. energy: -0.020 local terms energy: -43.577305 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -190.747697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.747697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.747697 (E_RNA) where: Base-Base interactions energy: -114.095 where: short stacking energy: -63.379 Base-Backbone interact. energy: -0.145 local terms energy: -76.507170 where: bonds (distance) C4'-P energy: -16.338 bonds (distance) P-C4' energy: -16.681 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -198.148406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.148406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.148406 (E_RNA) where: Base-Base interactions energy: -130.361 where: short stacking energy: -61.186 Base-Backbone interact. energy: -0.443 local terms energy: -67.344178 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -15.499 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -15.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -180.791477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.791477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.791477 (E_RNA) where: Base-Base interactions energy: -105.192 where: short stacking energy: -61.553 Base-Backbone interact. energy: -0.062 local terms energy: -75.537208 where: bonds (distance) C4'-P energy: -15.453 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -13.203 tors. eta vs tors. theta energy: -17.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -163.244860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.244860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.244860 (E_RNA) where: Base-Base interactions energy: -101.274 where: short stacking energy: -54.046 Base-Backbone interact. energy: -0.179 local terms energy: -61.792343 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -13.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -168.943346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.943346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.943346 (E_RNA) where: Base-Base interactions energy: -101.344 where: short stacking energy: -58.284 Base-Backbone interact. energy: -0.072 local terms energy: -67.527178 where: bonds (distance) C4'-P energy: -14.678 bonds (distance) P-C4' energy: -14.443 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -13.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -160.752905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.752905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.752905 (E_RNA) where: Base-Base interactions energy: -95.328 where: short stacking energy: -51.897 Base-Backbone interact. energy: -0.070 local terms energy: -65.354722 where: bonds (distance) C4'-P energy: -9.746 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -13.188 tors. eta vs tors. theta energy: -10.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -145.461401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.461401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.461401 (E_RNA) where: Base-Base interactions energy: -85.146 where: short stacking energy: -44.585 Base-Backbone interact. energy: 0.859 local terms energy: -61.173832 where: bonds (distance) C4'-P energy: -15.899 bonds (distance) P-C4' energy: -13.894 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -13.155 tors. eta vs tors. theta energy: -9.379 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: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -135.068613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.068613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.068613 (E_RNA) where: Base-Base interactions energy: -81.181 where: short stacking energy: -31.304 Base-Backbone interact. energy: 1.035 local terms energy: -54.922647 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -12.117 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -88.580669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.580669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.580669 (E_RNA) where: Base-Base interactions energy: -44.650 where: short stacking energy: -39.163 Base-Backbone interact. energy: -0.837 local terms energy: -43.093542 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -82.072883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.072883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.072883 (E_RNA) where: Base-Base interactions energy: -31.698 where: short stacking energy: -26.369 Base-Backbone interact. energy: 0.008 local terms energy: -50.383316 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -194.630279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.630279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.630279 (E_RNA) where: Base-Base interactions energy: -118.709 where: short stacking energy: -66.637 Base-Backbone interact. energy: -0.257 local terms energy: -75.665029 where: bonds (distance) C4'-P energy: -16.797 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -16.134 flat angles P-C4'-P energy: -14.239 tors. eta vs tors. theta energy: -14.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -178.088169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.088169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.088169 (E_RNA) where: Base-Base interactions energy: -106.765 where: short stacking energy: -62.321 Base-Backbone interact. energy: -0.031 local terms energy: -71.292991 where: bonds (distance) C4'-P energy: -13.867 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -17.443 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: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -180.360589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.360589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.360589 (E_RNA) where: Base-Base interactions energy: -116.124 where: short stacking energy: -61.182 Base-Backbone interact. energy: -0.432 local terms energy: -63.804911 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -17.464 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -9.026 tors. eta vs tors. theta energy: -12.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -157.932570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.932570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.932570 (E_RNA) where: Base-Base interactions energy: -93.556 where: short stacking energy: -49.881 Base-Backbone interact. energy: -0.234 local terms energy: -64.143107 where: bonds (distance) C4'-P energy: -17.683 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -162.548165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.548165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.548165 (E_RNA) where: Base-Base interactions energy: -100.565 where: short stacking energy: -52.578 Base-Backbone interact. energy: -0.158 local terms energy: -61.825059 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -12.941 flat angles C4'-P-C4' energy: -15.706 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -9.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -158.749299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.749299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.749299 (E_RNA) where: Base-Base interactions energy: -96.176 where: short stacking energy: -43.224 Base-Backbone interact. energy: -0.192 local terms energy: -62.381522 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -13.312 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -13.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -143.760397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.760397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.760397 (E_RNA) where: Base-Base interactions energy: -90.857 where: short stacking energy: -47.278 Base-Backbone interact. energy: -0.184 local terms energy: -52.719718 where: bonds (distance) C4'-P energy: -9.453 bonds (distance) P-C4' energy: -11.313 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -5.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -97.676445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.676445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.676445 (E_RNA) where: Base-Base interactions energy: -41.958 where: short stacking energy: -41.958 Base-Backbone interact. energy: -0.037 local terms energy: -55.680976 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -11.484 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -10.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -139.123511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.123511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.123511 (E_RNA) where: Base-Base interactions energy: -82.010 where: short stacking energy: -42.845 Base-Backbone interact. energy: -0.107 local terms energy: -57.006886 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -12.522 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -9.355 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: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -76.622495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.622495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.622495 (E_RNA) where: Base-Base interactions energy: -27.391 where: short stacking energy: -26.556 Base-Backbone interact. energy: -0.014 local terms energy: -49.218205 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -12.336 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -10.240 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -191.294340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.294340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.294340 (E_RNA) where: Base-Base interactions energy: -123.104 where: short stacking energy: -56.743 Base-Backbone interact. energy: -0.251 local terms energy: -67.938993 where: bonds (distance) C4'-P energy: -17.319 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -15.952 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -13.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -179.927236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.927236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.927236 (E_RNA) where: Base-Base interactions energy: -110.138 where: short stacking energy: -64.851 Base-Backbone interact. energy: -0.276 local terms energy: -69.514119 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -13.879 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -193.575126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.575126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.575126 (E_RNA) where: Base-Base interactions energy: -118.874 where: short stacking energy: -62.696 Base-Backbone interact. energy: -0.000 local terms energy: -74.701161 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -17.315 flat angles C4'-P-C4' energy: -17.478 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -17.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -174.772814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.772814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.772814 (E_RNA) where: Base-Base interactions energy: -105.296 where: short stacking energy: -57.021 Base-Backbone interact. energy: -0.075 local terms energy: -69.401974 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -16.804 flat angles P-C4'-P energy: -11.614 tors. eta vs tors. theta energy: -13.781 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: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -163.782387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.782387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.782387 (E_RNA) where: Base-Base interactions energy: -93.003 where: short stacking energy: -49.027 Base-Backbone interact. energy: -0.077 local terms energy: -70.702612 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -16.547 flat angles C4'-P-C4' energy: -17.371 flat angles P-C4'-P energy: -11.482 tors. eta vs tors. theta energy: -12.268 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: 9 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -157.934831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.934831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.934831 (E_RNA) where: Base-Base interactions energy: -98.772 where: short stacking energy: -43.636 Base-Backbone interact. energy: -0.577 local terms energy: -58.585839 where: bonds (distance) C4'-P energy: -10.242 bonds (distance) P-C4' energy: -17.019 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -148.105867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.105867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.105867 (E_RNA) where: Base-Base interactions energy: -94.163 where: short stacking energy: -55.870 Base-Backbone interact. energy: -0.134 local terms energy: -53.808880 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -14.566 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -97.011865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.011865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.011865 (E_RNA) where: Base-Base interactions energy: -38.451 where: short stacking energy: -36.783 Base-Backbone interact. energy: -0.144 local terms energy: -58.416118 where: bonds (distance) C4'-P energy: -9.549 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -126.030671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.030671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.030671 (E_RNA) where: Base-Base interactions energy: -78.906 where: short stacking energy: -36.028 Base-Backbone interact. energy: -0.267 local terms energy: -46.858268 where: bonds (distance) C4'-P energy: -4.258 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -17.515 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -74.523849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.523849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.523849 (E_RNA) where: Base-Base interactions energy: -27.402 where: short stacking energy: -25.528 Base-Backbone interact. energy: -1.312 local terms energy: -45.810272 where: bonds (distance) C4'-P energy: -5.656 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -203.513105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.513105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.513105 (E_RNA) where: Base-Base interactions energy: -127.619 where: short stacking energy: -60.227 Base-Backbone interact. energy: -1.391 local terms energy: -74.503698 where: bonds (distance) C4'-P energy: -15.750 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -10.942 tors. eta vs tors. theta energy: -18.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -182.400672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.400672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.400672 (E_RNA) where: Base-Base interactions energy: -116.329 where: short stacking energy: -47.744 Base-Backbone interact. energy: -0.096 local terms energy: -65.975473 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -17.389 flat angles C4'-P-C4' energy: -17.305 flat angles P-C4'-P energy: -12.335 tors. eta vs tors. theta energy: -5.697 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: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -178.511029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.511029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.511029 (E_RNA) where: Base-Base interactions energy: -113.216 where: short stacking energy: -67.165 Base-Backbone interact. energy: -0.093 local terms energy: -65.202624 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -17.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -158.139904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.139904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.139904 (E_RNA) where: Base-Base interactions energy: -99.739 where: short stacking energy: -55.467 Base-Backbone interact. energy: -0.212 local terms energy: -58.189017 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -14.518 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -162.554100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.554100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.554100 (E_RNA) where: Base-Base interactions energy: -99.882 where: short stacking energy: -55.727 Base-Backbone interact. energy: -0.678 local terms energy: -61.993945 where: bonds (distance) C4'-P energy: -9.656 bonds (distance) P-C4' energy: -18.895 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -13.546 tors. eta vs tors. theta energy: -9.858 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: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -157.523022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.523022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.523022 (E_RNA) where: Base-Base interactions energy: -95.570 where: short stacking energy: -51.723 Base-Backbone interact. energy: -0.042 local terms energy: -61.911060 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -11.764 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -165.656760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.656760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.656760 (E_RNA) where: Base-Base interactions energy: -102.210 where: short stacking energy: -53.591 Base-Backbone interact. energy: -0.082 local terms energy: -63.365486 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -15.210 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -11.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -134.082039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.082039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.082039 (E_RNA) where: Base-Base interactions energy: -78.977 where: short stacking energy: -31.800 Base-Backbone interact. energy: -0.148 local terms energy: -54.956435 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -16.002 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -99.916015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.916015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.916015 (E_RNA) where: Base-Base interactions energy: -51.006 where: short stacking energy: -33.057 Base-Backbone interact. energy: -0.172 local terms energy: -48.738534 where: bonds (distance) C4'-P energy: -8.864 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -15.971 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -76.564130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.564130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.564130 (E_RNA) where: Base-Base interactions energy: -26.577 where: short stacking energy: -26.577 Base-Backbone interact. energy: -0.255 local terms energy: -49.732037 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -14.541 flat angles C4'-P-C4' energy: -9.479 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -208.953322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.953322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.953322 (E_RNA) where: Base-Base interactions energy: -136.790 where: short stacking energy: -68.016 Base-Backbone interact. energy: -0.124 local terms energy: -72.038985 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -10.218 tors. eta vs tors. theta energy: -17.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -174.897120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.897120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.897120 (E_RNA) where: Base-Base interactions energy: -107.701 where: short stacking energy: -65.620 Base-Backbone interact. energy: -0.007 local terms energy: -67.189005 where: bonds (distance) C4'-P energy: -17.678 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -14.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -175.244530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.244530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.244530 (E_RNA) where: Base-Base interactions energy: -112.275 where: short stacking energy: -54.382 Base-Backbone interact. energy: -0.037 local terms energy: -62.932799 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -11.104 tors. eta vs tors. theta energy: -11.962 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: 4, replica: 10 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -160.374738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.374738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.374738 (E_RNA) where: Base-Base interactions energy: -97.556 where: short stacking energy: -44.728 Base-Backbone interact. energy: -0.344 local terms energy: -62.475243 where: bonds (distance) C4'-P energy: -15.121 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -15.649 flat angles P-C4'-P energy: -8.033 tors. eta vs tors. theta energy: -8.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -176.026397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.026397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.026397 (E_RNA) where: Base-Base interactions energy: -105.909 where: short stacking energy: -53.108 Base-Backbone interact. energy: -0.047 local terms energy: -70.070641 where: bonds (distance) C4'-P energy: -14.582 bonds (distance) P-C4' energy: -17.957 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -10.215 tors. eta vs tors. theta energy: -12.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -148.849529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.849529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.849529 (E_RNA) where: Base-Base interactions energy: -84.207 where: short stacking energy: -35.748 Base-Backbone interact. energy: -0.125 local terms energy: -64.517459 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -18.464 flat angles C4'-P-C4' energy: -18.017 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -142.006731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.006731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.006731 (E_RNA) where: Base-Base interactions energy: -84.315 where: short stacking energy: -44.206 Base-Backbone interact. energy: 0.233 local terms energy: -57.924157 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -10.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -146.293010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.293010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.293010 (E_RNA) where: Base-Base interactions energy: -87.790 where: short stacking energy: -49.229 Base-Backbone interact. energy: -0.000 local terms energy: -58.503081 where: bonds (distance) C4'-P energy: -14.417 bonds (distance) P-C4' energy: -16.252 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -14.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -90.301578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.301578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.301578 (E_RNA) where: Base-Base interactions energy: -44.148 where: short stacking energy: -29.715 Base-Backbone interact. energy: -0.157 local terms energy: -45.996372 where: bonds (distance) C4'-P energy: -8.067 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -9.646 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -78.764192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.764192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.764192 (E_RNA) where: Base-Base interactions energy: -23.914 where: short stacking energy: -23.914 Base-Backbone interact. energy: -0.061 local terms energy: -54.789148 where: bonds (distance) C4'-P energy: -16.726 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -11.218 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -187.305681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.305681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.305681 (E_RNA) where: Base-Base interactions energy: -110.240 where: short stacking energy: -62.611 Base-Backbone interact. energy: -0.047 local terms energy: -77.018596 where: bonds (distance) C4'-P energy: -12.277 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -18.395 flat angles P-C4'-P energy: -13.825 tors. eta vs tors. theta energy: -18.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -187.023360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.023360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.023360 (E_RNA) where: Base-Base interactions energy: -114.244 where: short stacking energy: -64.912 Base-Backbone interact. energy: -0.017 local terms energy: -72.762159 where: bonds (distance) C4'-P energy: -15.608 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -16.558 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -15.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -168.128358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.128358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.128358 (E_RNA) where: Base-Base interactions energy: -95.107 where: short stacking energy: -55.596 Base-Backbone interact. energy: -0.202 local terms energy: -72.818929 where: bonds (distance) C4'-P energy: -16.090 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -10.020 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -19.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -169.348923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.348923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.348923 (E_RNA) where: Base-Base interactions energy: -98.871 where: short stacking energy: -61.903 Base-Backbone interact. energy: 2.270 local terms energy: -72.748685 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -16.534 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -13.411 tors. eta vs tors. theta energy: -14.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -166.330548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.330548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.330548 (E_RNA) where: Base-Base interactions energy: -108.440 where: short stacking energy: -51.232 Base-Backbone interact. energy: -0.219 local terms energy: -57.671844 where: bonds (distance) C4'-P energy: -17.302 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -135.044848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.044848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.044848 (E_RNA) where: Base-Base interactions energy: -79.879 where: short stacking energy: -32.301 Base-Backbone interact. energy: 0.037 local terms energy: -55.202670 where: bonds (distance) C4'-P energy: -15.008 bonds (distance) P-C4' energy: -14.729 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -6.202 tors. eta vs tors. theta energy: -7.616 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: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -134.679475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.679475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.679475 (E_RNA) where: Base-Base interactions energy: -93.765 where: short stacking energy: -44.459 Base-Backbone interact. energy: -0.401 local terms energy: -40.512829 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -149.208365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.208365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.208365 (E_RNA) where: Base-Base interactions energy: -94.360 where: short stacking energy: -49.756 Base-Backbone interact. energy: -0.008 local terms energy: -54.840761 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -11.136 flat angles C4'-P-C4' energy: -15.202 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -6.996 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: 9, replica: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -79.965508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.965508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.965508 (E_RNA) where: Base-Base interactions energy: -29.672 where: short stacking energy: -28.104 Base-Backbone interact. energy: -0.036 local terms energy: -50.257872 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -3.997 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: 5 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -84.291513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.291513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.291513 (E_RNA) where: Base-Base interactions energy: -27.356 where: short stacking energy: -25.492 Base-Backbone interact. energy: -0.251 local terms energy: -56.684973 where: bonds (distance) C4'-P energy: -16.004 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -7.592 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -193.589866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.589866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.589866 (E_RNA) where: Base-Base interactions energy: -116.520 where: short stacking energy: -67.483 Base-Backbone interact. energy: -0.036 local terms energy: -77.033675 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -16.260 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: -19.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -183.045556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.045556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.045556 (E_RNA) where: Base-Base interactions energy: -115.735 where: short stacking energy: -65.020 Base-Backbone interact. energy: -0.133 local terms energy: -67.177478 where: bonds (distance) C4'-P energy: -15.738 bonds (distance) P-C4' energy: -17.777 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -15.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -171.716455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.716455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.716455 (E_RNA) where: Base-Base interactions energy: -101.602 where: short stacking energy: -56.853 Base-Backbone interact. energy: -0.012 local terms energy: -70.102284 where: bonds (distance) C4'-P energy: -14.819 bonds (distance) P-C4' energy: -16.759 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -11.417 tors. eta vs tors. theta energy: -14.756 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: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -175.288265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.288265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.288265 (E_RNA) where: Base-Base interactions energy: -108.264 where: short stacking energy: -61.629 Base-Backbone interact. energy: -0.005 local terms energy: -67.019012 where: bonds (distance) C4'-P energy: -11.326 bonds (distance) P-C4' energy: -16.287 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: -14.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -163.169337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.169337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.169337 (E_RNA) where: Base-Base interactions energy: -96.198 where: short stacking energy: -55.298 Base-Backbone interact. energy: -0.023 local terms energy: -66.948350 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -17.267 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -12.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -150.933190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.933190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.933190 (E_RNA) where: Base-Base interactions energy: -86.723 where: short stacking energy: -46.251 Base-Backbone interact. energy: -0.060 local terms energy: -64.150860 where: bonds (distance) C4'-P energy: -15.585 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -9.517 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: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -162.292050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.292050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.292050 (E_RNA) where: Base-Base interactions energy: -92.785 where: short stacking energy: -54.075 Base-Backbone interact. energy: -0.255 local terms energy: -69.251966 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -16.770 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: -12.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -134.395135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.395135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.395135 (E_RNA) where: Base-Base interactions energy: -79.711 where: short stacking energy: -37.849 Base-Backbone interact. energy: -0.105 local terms energy: -54.579343 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -7.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -77.813906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.813906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.813906 (E_RNA) where: Base-Base interactions energy: -29.073 where: short stacking energy: -29.073 Base-Backbone interact. energy: -0.431 local terms energy: -48.310664 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -0.035 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: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -66.207736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.207736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.207736 (E_RNA) where: Base-Base interactions energy: -24.296 where: short stacking energy: -21.992 Base-Backbone interact. energy: -0.249 local terms energy: -41.663128 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -10.406 flat angles C4'-P-C4' energy: -10.065 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: 1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -186.931279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.931279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.931279 (E_RNA) where: Base-Base interactions energy: -109.643 where: short stacking energy: -63.768 Base-Backbone interact. energy: -0.003 local terms energy: -77.284804 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -16.727 flat angles C4'-P-C4' energy: -16.630 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -19.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -186.264104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.264104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.264104 (E_RNA) where: Base-Base interactions energy: -110.952 where: short stacking energy: -66.937 Base-Backbone interact. energy: -0.032 local terms energy: -75.280123 where: bonds (distance) C4'-P energy: -14.041 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -18.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -174.402187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.402187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.402187 (E_RNA) where: Base-Base interactions energy: -100.385 where: short stacking energy: -50.015 Base-Backbone interact. energy: -0.041 local terms energy: -73.976376 where: bonds (distance) C4'-P energy: -15.494 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -17.666 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -13.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -171.194473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.194473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.194473 (E_RNA) where: Base-Base interactions energy: -106.839 where: short stacking energy: -47.054 Base-Backbone interact. energy: 0.779 local terms energy: -65.134034 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -15.434 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -10.534 tors. eta vs tors. theta energy: -11.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -169.400555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.400555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.400555 (E_RNA) where: Base-Base interactions energy: -99.722 where: short stacking energy: -56.277 Base-Backbone interact. energy: -0.094 local terms energy: -69.584621 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -14.866 flat angles C4'-P-C4' energy: -17.347 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -13.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -152.939536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.939536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.939536 (E_RNA) where: Base-Base interactions energy: -92.785 where: short stacking energy: -49.907 Base-Backbone interact. energy: -0.051 local terms energy: -60.103252 where: bonds (distance) C4'-P energy: -11.846 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -16.020 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -149.338033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.338033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.338033 (E_RNA) where: Base-Base interactions energy: -92.542 where: short stacking energy: -49.773 Base-Backbone interact. energy: -0.086 local terms energy: -56.710193 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -13.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -91.550468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.550468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.550468 (E_RNA) where: Base-Base interactions energy: -46.126 where: short stacking energy: -39.842 Base-Backbone interact. energy: -0.081 local terms energy: -45.343899 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -14.304 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -138.351212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.351212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.351212 (E_RNA) where: Base-Base interactions energy: -85.086 where: short stacking energy: -40.588 Base-Backbone interact. energy: -0.174 local terms energy: -53.091239 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -12.666 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -72.326155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.326155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.326155 (E_RNA) where: Base-Base interactions energy: -23.985 where: short stacking energy: -22.479 Base-Backbone interact. energy: -0.151 local terms energy: -48.190884 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -8.739 tors. eta vs tors. theta energy: -1.628 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: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -181.851870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.851870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.851870 (E_RNA) where: Base-Base interactions energy: -114.245 where: short stacking energy: -62.571 Base-Backbone interact. energy: -0.282 local terms energy: -67.324572 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -15.582 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -192.832949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.832949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.832949 (E_RNA) where: Base-Base interactions energy: -121.145 where: short stacking energy: -61.207 Base-Backbone interact. energy: -0.074 local terms energy: -71.613827 where: bonds (distance) C4'-P energy: -14.451 bonds (distance) P-C4' energy: -15.314 flat angles C4'-P-C4' energy: -15.952 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -16.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -178.605750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.605750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.605750 (E_RNA) where: Base-Base interactions energy: -109.839 where: short stacking energy: -65.007 Base-Backbone interact. energy: -0.214 local terms energy: -68.551986 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -16.772 flat angles P-C4'-P energy: -13.701 tors. eta vs tors. theta energy: -12.888 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: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -156.513094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.513094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.513094 (E_RNA) where: Base-Base interactions energy: -103.636 where: short stacking energy: -52.518 Base-Backbone interact. energy: -0.223 local terms energy: -52.654758 where: bonds (distance) C4'-P energy: -8.016 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -9.625 tors. eta vs tors. theta energy: -7.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -168.188882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.188882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.188882 (E_RNA) where: Base-Base interactions energy: -105.838 where: short stacking energy: -59.620 Base-Backbone interact. energy: -0.053 local terms energy: -62.297394 where: bonds (distance) C4'-P energy: -11.561 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -15.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -161.310687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.310687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.310687 (E_RNA) where: Base-Base interactions energy: -99.042 where: short stacking energy: -55.100 Base-Backbone interact. energy: -0.102 local terms energy: -62.166508 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -14.800 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -10.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -167.865125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.865125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.865125 (E_RNA) where: Base-Base interactions energy: -93.144 where: short stacking energy: -55.545 Base-Backbone interact. energy: -0.057 local terms energy: -74.664133 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -17.072 flat angles C4'-P-C4' energy: -17.560 flat angles P-C4'-P energy: -11.099 tors. eta vs tors. theta energy: -15.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -96.807470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.807470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.807470 (E_RNA) where: Base-Base interactions energy: -35.540 where: short stacking energy: -27.220 Base-Backbone interact. energy: 1.737 local terms energy: -63.004548 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -11.987 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -141.906923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.906923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.906923 (E_RNA) where: Base-Base interactions energy: -82.438 where: short stacking energy: -38.915 Base-Backbone interact. energy: -0.283 local terms energy: -59.185336 where: bonds (distance) C4'-P energy: -16.184 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -11.847 tors. eta vs tors. theta energy: -6.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -115.933155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.933155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.933155 (E_RNA) where: Base-Base interactions energy: -70.716 where: short stacking energy: -37.439 Base-Backbone interact. energy: -0.329 local terms energy: -44.888742 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -15.130 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -188.730973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.730973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.730973 (E_RNA) where: Base-Base interactions energy: -116.492 where: short stacking energy: -61.042 Base-Backbone interact. energy: 0.361 local terms energy: -72.599976 where: bonds (distance) C4'-P energy: -17.844 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -14.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -181.073638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.073638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.073638 (E_RNA) where: Base-Base interactions energy: -108.513 where: short stacking energy: -62.860 Base-Backbone interact. energy: 0.701 local terms energy: -73.262174 where: bonds (distance) C4'-P energy: -13.262 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -16.991 flat angles P-C4'-P energy: -11.965 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -183.144568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.144568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.144568 (E_RNA) where: Base-Base interactions energy: -111.531 where: short stacking energy: -58.632 Base-Backbone interact. energy: -0.110 local terms energy: -71.502979 where: bonds (distance) C4'-P energy: -15.994 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -16.021 flat angles P-C4'-P energy: -11.420 tors. eta vs tors. theta energy: -13.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -175.326603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.326603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.326603 (E_RNA) where: Base-Base interactions energy: -106.837 where: short stacking energy: -62.842 Base-Backbone interact. energy: -0.155 local terms energy: -68.334851 where: bonds (distance) C4'-P energy: -10.237 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -159.879913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.879913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.879913 (E_RNA) where: Base-Base interactions energy: -95.183 where: short stacking energy: -48.301 Base-Backbone interact. energy: -0.116 local terms energy: -64.581075 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -11.683 tors. eta vs tors. theta energy: -9.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -158.619863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.619863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.619863 (E_RNA) where: Base-Base interactions energy: -95.372 where: short stacking energy: -53.904 Base-Backbone interact. energy: 0.679 local terms energy: -63.926771 where: bonds (distance) C4'-P energy: -11.201 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -11.467 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: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -157.419847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.419847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.419847 (E_RNA) where: Base-Base interactions energy: -93.425 where: short stacking energy: -51.177 Base-Backbone interact. energy: 0.881 local terms energy: -64.876143 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -17.377 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -11.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -144.185279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.185279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.185279 (E_RNA) where: Base-Base interactions energy: -92.455 where: short stacking energy: -49.506 Base-Backbone interact. energy: -0.034 local terms energy: -51.695457 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -17.107 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -7.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -82.726801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.726801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.726801 (E_RNA) where: Base-Base interactions energy: -31.394 where: short stacking energy: -30.099 Base-Backbone interact. energy: -0.110 local terms energy: -51.222935 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -17.491 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -134.404497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.404497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.404497 (E_RNA) where: Base-Base interactions energy: -91.355 where: short stacking energy: -41.925 Base-Backbone interact. energy: 2.435 local terms energy: -45.485265 where: bonds (distance) C4'-P energy: -8.224 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -9.933 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -8.923 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: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -185.675080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.675080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.675080 (E_RNA) where: Base-Base interactions energy: -107.905 where: short stacking energy: -66.045 Base-Backbone interact. energy: -0.282 local terms energy: -77.488175 where: bonds (distance) C4'-P energy: -16.751 bonds (distance) P-C4' energy: -16.599 flat angles C4'-P-C4' energy: -15.521 flat angles P-C4'-P energy: -13.448 tors. eta vs tors. theta energy: -15.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -179.793078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.793078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.793078 (E_RNA) where: Base-Base interactions energy: -113.220 where: short stacking energy: -44.880 Base-Backbone interact. energy: -0.202 local terms energy: -66.371157 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -11.732 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -168.938331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.938331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.938331 (E_RNA) where: Base-Base interactions energy: -99.348 where: short stacking energy: -53.944 Base-Backbone interact. energy: -0.080 local terms energy: -69.510641 where: bonds (distance) C4'-P energy: -17.105 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -13.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -161.242936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.242936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.242936 (E_RNA) where: Base-Base interactions energy: -102.269 where: short stacking energy: -53.179 Base-Backbone interact. energy: -0.243 local terms energy: -58.730542 where: bonds (distance) C4'-P energy: -5.206 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -12.573 tors. eta vs tors. theta energy: -11.646 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: 10 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -160.986206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.986206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.986206 (E_RNA) where: Base-Base interactions energy: -97.625 where: short stacking energy: -51.540 Base-Backbone interact. energy: 0.382 local terms energy: -63.743670 where: bonds (distance) C4'-P energy: -10.186 bonds (distance) P-C4' energy: -13.553 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -13.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -163.253598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.253598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.253598 (E_RNA) where: Base-Base interactions energy: -99.758 where: short stacking energy: -55.411 Base-Backbone interact. energy: -0.177 local terms energy: -63.318793 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -16.591 flat angles P-C4'-P energy: -13.025 tors. eta vs tors. theta energy: -9.011 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: 4 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -159.075875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.075875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.075875 (E_RNA) where: Base-Base interactions energy: -102.760 where: short stacking energy: -61.076 Base-Backbone interact. energy: -0.210 local terms energy: -56.105933 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -11.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -146.250543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.250543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.250543 (E_RNA) where: Base-Base interactions energy: -90.209 where: short stacking energy: -47.901 Base-Backbone interact. energy: -0.345 local terms energy: -55.697328 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -16.450 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -7.219 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: 9, replica: 2 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -137.478065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.478065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.478065 (E_RNA) where: Base-Base interactions energy: -84.338 where: short stacking energy: -43.182 Base-Backbone interact. energy: -0.488 local terms energy: -52.651432 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -7.939 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: 5 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -75.286331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.286331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.286331 (E_RNA) where: Base-Base interactions energy: -31.196 where: short stacking energy: -23.460 Base-Backbone interact. energy: -0.262 local terms energy: -43.827716 where: bonds (distance) C4'-P energy: -15.548 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -16.037 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: 4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -203.812392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.812392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.812392 (E_RNA) where: Base-Base interactions energy: -132.097 where: short stacking energy: -61.702 Base-Backbone interact. energy: -0.205 local terms energy: -71.510215 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -16.617 flat angles C4'-P-C4' energy: -17.423 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -14.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -193.649861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.649861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.649861 (E_RNA) where: Base-Base interactions energy: -121.241 where: short stacking energy: -71.181 Base-Backbone interact. energy: -0.245 local terms energy: -72.163278 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -13.361 tors. eta vs tors. theta energy: -17.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -177.341205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.341205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.341205 (E_RNA) where: Base-Base interactions energy: -115.535 where: short stacking energy: -53.623 Base-Backbone interact. energy: -0.100 local terms energy: -61.706611 where: bonds (distance) C4'-P energy: -16.930 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -11.440 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: 10 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -170.868998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.868998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.868998 (E_RNA) where: Base-Base interactions energy: -100.704 where: short stacking energy: -60.062 Base-Backbone interact. energy: -0.042 local terms energy: -70.122047 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -16.312 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -15.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -176.106617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.106617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.106617 (E_RNA) where: Base-Base interactions energy: -117.337 where: short stacking energy: -59.781 Base-Backbone interact. energy: -0.736 local terms energy: -58.033449 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -15.501 flat angles P-C4'-P energy: -7.094 tors. eta vs tors. theta energy: -14.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -166.452581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.452581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.452581 (E_RNA) where: Base-Base interactions energy: -96.534 where: short stacking energy: -55.043 Base-Backbone interact. energy: -0.282 local terms energy: -69.636705 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -18.250 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -13.332 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: 8 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -147.328731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.328731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.328731 (E_RNA) where: Base-Base interactions energy: -92.416 where: short stacking energy: -45.828 Base-Backbone interact. energy: -0.045 local terms energy: -54.867988 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -157.758152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.758152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.758152 (E_RNA) where: Base-Base interactions energy: -98.514 where: short stacking energy: -54.623 Base-Backbone interact. energy: -0.081 local terms energy: -59.163112 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -11.394 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -14.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -135.196352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.196352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.196352 (E_RNA) where: Base-Base interactions energy: -80.810 where: short stacking energy: -36.194 Base-Backbone interact. energy: -0.040 local terms energy: -54.346038 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -88.496158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.496158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.496158 (E_RNA) where: Base-Base interactions energy: -35.417 where: short stacking energy: -32.856 Base-Backbone interact. energy: -0.232 local terms energy: -52.847073 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -10.834 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -206.225008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.225008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.225008 (E_RNA) where: Base-Base interactions energy: -127.361 where: short stacking energy: -70.182 Base-Backbone interact. energy: -0.334 local terms energy: -78.530256 where: bonds (distance) C4'-P energy: -15.862 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -14.701 tors. eta vs tors. theta energy: -17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -185.603300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.603300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.603300 (E_RNA) where: Base-Base interactions energy: -108.417 where: short stacking energy: -64.101 Base-Backbone interact. energy: -0.071 local terms energy: -77.115550 where: bonds (distance) C4'-P energy: -16.255 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -17.036 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -17.532 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: 7 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -187.494387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.494387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.494387 (E_RNA) where: Base-Base interactions energy: -128.493 where: short stacking energy: -58.353 Base-Backbone interact. energy: 2.530 local terms energy: -61.531451 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -11.650 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -12.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -168.497549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.497549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.497549 (E_RNA) where: Base-Base interactions energy: -99.084 where: short stacking energy: -49.593 Base-Backbone interact. energy: -0.097 local terms energy: -69.317078 where: bonds (distance) C4'-P energy: -11.623 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -14.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -160.207752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.207752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.207752 (E_RNA) where: Base-Base interactions energy: -102.209 where: short stacking energy: -41.516 Base-Backbone interact. energy: -0.397 local terms energy: -57.601812 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -14.482 flat angles C4'-P-C4' energy: -16.963 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -158.723977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.723977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.723977 (E_RNA) where: Base-Base interactions energy: -94.651 where: short stacking energy: -51.445 Base-Backbone interact. energy: -0.723 local terms energy: -63.349232 where: bonds (distance) C4'-P energy: -15.181 bonds (distance) P-C4' energy: -15.170 flat angles C4'-P-C4' energy: -11.193 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -10.477 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: 2 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -154.091928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.091928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.091928 (E_RNA) where: Base-Base interactions energy: -95.968 where: short stacking energy: -50.008 Base-Backbone interact. energy: 0.177 local terms energy: -58.301708 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -14.552 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -8.739 tors. eta vs tors. theta energy: -11.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -154.752031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.752031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.752031 (E_RNA) where: Base-Base interactions energy: -97.179 where: short stacking energy: -44.727 Base-Backbone interact. energy: -0.446 local terms energy: -57.127283 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -8.169 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -13.233 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: 494 Temperature: 1.300000 Total energy: -153.569043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.569043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.569043 (E_RNA) where: Base-Base interactions energy: -93.295 where: short stacking energy: -46.315 Base-Backbone interact. energy: -0.372 local terms energy: -59.902066 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -7.250 tors. eta vs tors. theta energy: -11.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -78.284229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.284229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.284229 (E_RNA) where: Base-Base interactions energy: -25.590 where: short stacking energy: -25.590 Base-Backbone interact. energy: -0.121 local terms energy: -52.572888 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -214.007266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.007266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.007266 (E_RNA) where: Base-Base interactions energy: -135.155 where: short stacking energy: -71.777 Base-Backbone interact. energy: -0.677 local terms energy: -78.175115 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -18.122 flat angles C4'-P-C4' energy: -16.274 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -17.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -179.210029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.210029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.210029 (E_RNA) where: Base-Base interactions energy: -116.785 where: short stacking energy: -60.847 Base-Backbone interact. energy: -0.156 local terms energy: -62.268496 where: bonds (distance) C4'-P energy: -13.723 bonds (distance) P-C4' energy: -10.941 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -12.884 tors. eta vs tors. theta energy: -14.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -180.020321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.020321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.020321 (E_RNA) where: Base-Base interactions energy: -107.009 where: short stacking energy: -60.067 Base-Backbone interact. energy: 0.018 local terms energy: -73.028915 where: bonds (distance) C4'-P energy: -13.512 bonds (distance) P-C4' energy: -17.269 flat angles C4'-P-C4' energy: -17.043 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -14.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -170.936077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.936077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.936077 (E_RNA) where: Base-Base interactions energy: -99.560 where: short stacking energy: -60.447 Base-Backbone interact. energy: 0.051 local terms energy: -71.427261 where: bonds (distance) C4'-P energy: -15.258 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -13.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -167.607503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.607503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.607503 (E_RNA) where: Base-Base interactions energy: -104.131 where: short stacking energy: -55.558 Base-Backbone interact. energy: -0.140 local terms energy: -63.336043 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -10.788 tors. eta vs tors. theta energy: -12.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -167.683844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.683844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.683844 (E_RNA) where: Base-Base interactions energy: -100.919 where: short stacking energy: -62.924 Base-Backbone interact. energy: -0.649 local terms energy: -66.116595 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -13.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -147.867115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.867115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.867115 (E_RNA) where: Base-Base interactions energy: -89.061 where: short stacking energy: -42.836 Base-Backbone interact. energy: -0.028 local terms energy: -58.777926 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -8.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -155.437071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.437071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.437071 (E_RNA) where: Base-Base interactions energy: -98.261 where: short stacking energy: -47.694 Base-Backbone interact. energy: -0.064 local terms energy: -57.112644 where: bonds (distance) C4'-P energy: -10.265 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -8.674 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: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -128.050613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.050613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.050613 (E_RNA) where: Base-Base interactions energy: -79.701 where: short stacking energy: -34.766 Base-Backbone interact. energy: 1.187 local terms energy: -49.536428 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -8.370 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -67.744659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.744659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.744659 (E_RNA) where: Base-Base interactions energy: -27.390 where: short stacking energy: -22.933 Base-Backbone interact. energy: -0.323 local terms energy: -40.031755 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: 3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -215.019512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.019512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.019512 (E_RNA) where: Base-Base interactions energy: -141.178 where: short stacking energy: -76.698 Base-Backbone interact. energy: -0.249 local terms energy: -73.592507 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -14.154 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -181.620193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.620193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.620193 (E_RNA) where: Base-Base interactions energy: -112.979 where: short stacking energy: -68.361 Base-Backbone interact. energy: -0.065 local terms energy: -68.576043 where: bonds (distance) C4'-P energy: -12.373 bonds (distance) P-C4' energy: -15.173 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -12.683 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -187.343807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.343807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.343807 (E_RNA) where: Base-Base interactions energy: -109.937 where: short stacking energy: -56.677 Base-Backbone interact. energy: 0.645 local terms energy: -78.051305 where: bonds (distance) C4'-P energy: -14.861 bonds (distance) P-C4' energy: -17.449 flat angles C4'-P-C4' energy: -15.702 flat angles P-C4'-P energy: -12.132 tors. eta vs tors. theta energy: -17.906 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: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -163.130843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.130843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.130843 (E_RNA) where: Base-Base interactions energy: -97.822 where: short stacking energy: -53.594 Base-Backbone interact. energy: -0.009 local terms energy: -65.299514 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -159.344102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.344102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.344102 (E_RNA) where: Base-Base interactions energy: -102.630 where: short stacking energy: -44.625 Base-Backbone interact. energy: -0.033 local terms energy: -56.681961 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -15.707 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -154.348094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.348094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.348094 (E_RNA) where: Base-Base interactions energy: -94.044 where: short stacking energy: -44.184 Base-Backbone interact. energy: 0.189 local terms energy: -60.492926 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -16.375 flat angles C4'-P-C4' energy: -14.663 flat angles P-C4'-P energy: -11.756 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -146.379739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.379739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.379739 (E_RNA) where: Base-Base interactions energy: -87.264 where: short stacking energy: -45.842 Base-Backbone interact. energy: -0.024 local terms energy: -59.091576 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -16.488 flat angles C4'-P-C4' energy: -10.078 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -9.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -161.306662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.306662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.306662 (E_RNA) where: Base-Base interactions energy: -99.209 where: short stacking energy: -53.298 Base-Backbone interact. energy: 0.892 local terms energy: -62.989587 where: bonds (distance) C4'-P energy: -15.693 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -11.878 tors. eta vs tors. theta energy: -12.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -86.186428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.186428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.186428 (E_RNA) where: Base-Base interactions energy: -37.314 where: short stacking energy: -15.528 Base-Backbone interact. energy: -0.318 local terms energy: -48.554808 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -16.826 flat angles C4'-P-C4' energy: -8.013 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -74.186324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.186324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.186324 (E_RNA) where: Base-Base interactions energy: -28.072 where: short stacking energy: -26.554 Base-Backbone interact. energy: -0.019 local terms energy: -46.095575 where: bonds (distance) C4'-P energy: -9.670 bonds (distance) P-C4' energy: -13.409 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -219.088740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.088740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.088740 (E_RNA) where: Base-Base interactions energy: -140.536 where: short stacking energy: -71.055 Base-Backbone interact. energy: -0.144 local terms energy: -78.409365 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -20.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -185.133942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.133942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.133942 (E_RNA) where: Base-Base interactions energy: -117.802 where: short stacking energy: -58.780 Base-Backbone interact. energy: -0.766 local terms energy: -66.566232 where: bonds (distance) C4'-P energy: -16.591 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -12.504 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: 7 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -184.079587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.079587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.079587 (E_RNA) where: Base-Base interactions energy: -126.720 where: short stacking energy: -54.381 Base-Backbone interact. energy: -0.135 local terms energy: -57.224216 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -10.999 flat angles P-C4'-P energy: -6.903 tors. eta vs tors. theta energy: -10.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -174.853816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.853816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.853816 (E_RNA) where: Base-Base interactions energy: -105.348 where: short stacking energy: -49.794 Base-Backbone interact. energy: -1.410 local terms energy: -68.095402 where: bonds (distance) C4'-P energy: -14.056 bonds (distance) P-C4' energy: -15.398 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -11.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -165.737338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.737338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.737338 (E_RNA) where: Base-Base interactions energy: -98.148 where: short stacking energy: -58.444 Base-Backbone interact. energy: -0.001 local terms energy: -67.587567 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -12.925 flat angles C4'-P-C4' energy: -17.468 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -13.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -146.127233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.127233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.127233 (E_RNA) where: Base-Base interactions energy: -91.935 where: short stacking energy: -34.078 Base-Backbone interact. energy: -0.605 local terms energy: -53.586750 where: bonds (distance) C4'-P energy: -10.124 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -11.276 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -158.973887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.973887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.973887 (E_RNA) where: Base-Base interactions energy: -97.463 where: short stacking energy: -49.780 Base-Backbone interact. energy: -0.061 local terms energy: -61.450269 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -12.727 tors. eta vs tors. theta energy: -9.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -153.497410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.497410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.497410 (E_RNA) where: Base-Base interactions energy: -90.085 where: short stacking energy: -47.509 Base-Backbone interact. energy: -0.005 local terms energy: -63.407397 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -91.287382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.287382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.287382 (E_RNA) where: Base-Base interactions energy: -36.846 where: short stacking energy: -28.418 Base-Backbone interact. energy: -0.736 local terms energy: -53.705401 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -17.580 flat angles C4'-P-C4' energy: -10.265 flat angles P-C4'-P energy: -13.227 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -69.933292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.933292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.933292 (E_RNA) where: Base-Base interactions energy: -26.526 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.791 local terms energy: -42.616395 where: bonds (distance) C4'-P energy: -14.118 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: 1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -211.147449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.147449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.147449 (E_RNA) where: Base-Base interactions energy: -140.733 where: short stacking energy: -73.085 Base-Backbone interact. energy: -0.685 local terms energy: -69.729316 where: bonds (distance) C4'-P energy: -17.779 bonds (distance) P-C4' energy: -9.874 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -19.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -197.129192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.129192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.129192 (E_RNA) where: Base-Base interactions energy: -121.517 where: short stacking energy: -63.474 Base-Backbone interact. energy: -0.515 local terms energy: -75.097203 where: bonds (distance) C4'-P energy: -15.771 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -14.758 flat angles P-C4'-P energy: -13.051 tors. eta vs tors. theta energy: -15.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -184.748172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.748172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.748172 (E_RNA) where: Base-Base interactions energy: -119.901 where: short stacking energy: -56.329 Base-Backbone interact. energy: -0.192 local terms energy: -64.654707 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -13.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -168.291089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.291089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.291089 (E_RNA) where: Base-Base interactions energy: -101.189 where: short stacking energy: -53.741 Base-Backbone interact. energy: -0.313 local terms energy: -66.789040 where: bonds (distance) C4'-P energy: -17.291 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -11.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -166.903396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.903396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.903396 (E_RNA) where: Base-Base interactions energy: -100.080 where: short stacking energy: -53.437 Base-Backbone interact. energy: -0.093 local terms energy: -66.731123 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -13.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -144.732348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.732348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.732348 (E_RNA) where: Base-Base interactions energy: -88.844 where: short stacking energy: -43.036 Base-Backbone interact. energy: -0.904 local terms energy: -54.983871 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -148.426656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.426656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.426656 (E_RNA) where: Base-Base interactions energy: -89.122 where: short stacking energy: -41.725 Base-Backbone interact. energy: -0.466 local terms energy: -58.837747 where: bonds (distance) C4'-P energy: -15.510 bonds (distance) P-C4' energy: -11.925 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -11.640 tors. eta vs tors. theta energy: -7.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -157.445352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.445352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.445352 (E_RNA) where: Base-Base interactions energy: -99.655 where: short stacking energy: -51.428 Base-Backbone interact. energy: -0.011 local terms energy: -57.779167 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -12.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -88.655299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.655299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.655299 (E_RNA) where: Base-Base interactions energy: -35.107 where: short stacking energy: -26.427 Base-Backbone interact. energy: -0.817 local terms energy: -52.731122 where: bonds (distance) C4'-P energy: -13.452 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -6.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -92.255873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.255873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.255873 (E_RNA) where: Base-Base interactions energy: -43.390 where: short stacking energy: -32.755 Base-Backbone interact. energy: -0.005 local terms energy: -48.861223 where: bonds (distance) C4'-P energy: -9.052 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -10.877 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -212.055295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.055295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.055295 (E_RNA) where: Base-Base interactions energy: -137.531 where: short stacking energy: -68.560 Base-Backbone interact. energy: -0.251 local terms energy: -74.273547 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -16.452 flat angles C4'-P-C4' energy: -17.821 flat angles P-C4'-P energy: -8.949 tors. eta vs tors. theta energy: -18.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -191.988210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.988210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.988210 (E_RNA) where: Base-Base interactions energy: -121.372 where: short stacking energy: -71.573 Base-Backbone interact. energy: -0.016 local terms energy: -70.599794 where: bonds (distance) C4'-P energy: -17.551 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -15.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -179.385802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.385802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.385802 (E_RNA) where: Base-Base interactions energy: -115.436 where: short stacking energy: -56.697 Base-Backbone interact. energy: -0.026 local terms energy: -63.923822 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -17.767 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -10.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -177.948874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.948874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.948874 (E_RNA) where: Base-Base interactions energy: -108.986 where: short stacking energy: -64.927 Base-Backbone interact. energy: -0.027 local terms energy: -68.935208 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -16.420 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -163.246493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.246493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.246493 (E_RNA) where: Base-Base interactions energy: -93.799 where: short stacking energy: -53.843 Base-Backbone interact. energy: -0.050 local terms energy: -69.397702 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -16.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -151.113506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.113506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.113506 (E_RNA) where: Base-Base interactions energy: -88.462 where: short stacking energy: -46.096 Base-Backbone interact. energy: -0.010 local terms energy: -62.642053 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -16.816 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -7.932 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: 4 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -152.601975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.601975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.601975 (E_RNA) where: Base-Base interactions energy: -95.643 where: short stacking energy: -51.163 Base-Backbone interact. energy: -0.347 local terms energy: -56.611915 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -16.426 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -8.997 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -140.805019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.805019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.805019 (E_RNA) where: Base-Base interactions energy: -79.946 where: short stacking energy: -34.079 Base-Backbone interact. energy: -0.003 local terms energy: -60.856271 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -17.654 flat angles P-C4'-P energy: -7.235 tors. eta vs tors. theta energy: -10.442 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: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -84.287956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.287956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.287956 (E_RNA) where: Base-Base interactions energy: -29.730 where: short stacking energy: -29.730 Base-Backbone interact. energy: -0.048 local terms energy: -54.509862 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -15.076 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -83.218060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.218060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.218060 (E_RNA) where: Base-Base interactions energy: -33.369 where: short stacking energy: -21.004 Base-Backbone interact. energy: -0.436 local terms energy: -49.412999 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -11.868 tors. eta vs tors. theta energy: 3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -200.242486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.242486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.242486 (E_RNA) where: Base-Base interactions energy: -126.644 where: short stacking energy: -64.394 Base-Backbone interact. energy: -0.013 local terms energy: -73.586090 where: bonds (distance) C4'-P energy: -15.800 bonds (distance) P-C4' energy: -17.960 flat angles C4'-P-C4' energy: -14.990 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -14.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -203.466379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.466379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.466379 (E_RNA) where: Base-Base interactions energy: -129.167 where: short stacking energy: -70.367 Base-Backbone interact. energy: -0.970 local terms energy: -73.329759 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -17.759 flat angles C4'-P-C4' energy: -16.386 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -19.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -188.103000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.103000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.103000 (E_RNA) where: Base-Base interactions energy: -114.882 where: short stacking energy: -62.425 Base-Backbone interact. energy: -0.118 local terms energy: -73.103401 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -17.445 flat angles C4'-P-C4' energy: -16.697 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -17.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -175.246512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.246512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.246512 (E_RNA) where: Base-Base interactions energy: -101.658 where: short stacking energy: -60.094 Base-Backbone interact. energy: -0.082 local terms energy: -73.506448 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -18.129 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -155.495316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.495316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.495316 (E_RNA) where: Base-Base interactions energy: -90.901 where: short stacking energy: -52.682 Base-Backbone interact. energy: -0.777 local terms energy: -63.818161 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -8.714 flat angles P-C4'-P energy: -14.650 tors. eta vs tors. theta energy: -10.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -155.611565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.611565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.611565 (E_RNA) where: Base-Base interactions energy: -95.043 where: short stacking energy: -53.680 Base-Backbone interact. energy: -0.257 local terms energy: -60.311483 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -17.706 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -16.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -144.963669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.963669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.963669 (E_RNA) where: Base-Base interactions energy: -90.632 where: short stacking energy: -44.701 Base-Backbone interact. energy: -0.187 local terms energy: -54.145010 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -8.901 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -135.031513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.031513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.031513 (E_RNA) where: Base-Base interactions energy: -78.740 where: short stacking energy: -40.645 Base-Backbone interact. energy: -0.231 local terms energy: -56.061082 where: bonds (distance) C4'-P energy: -12.144 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -4.737 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: 5 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -82.595554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.595554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.595554 (E_RNA) where: Base-Base interactions energy: -24.032 where: short stacking energy: -24.032 Base-Backbone interact. energy: -0.141 local terms energy: -58.422026 where: bonds (distance) C4'-P energy: -15.316 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -16.934 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -7.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -80.663900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.663900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.663900 (E_RNA) where: Base-Base interactions energy: -28.429 where: short stacking energy: -28.429 Base-Backbone interact. energy: -0.031 local terms energy: -52.204312 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -13.470 flat angles C4'-P-C4' energy: -9.703 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -182.180673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.180673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.180673 (E_RNA) where: Base-Base interactions energy: -112.913 where: short stacking energy: -62.504 Base-Backbone interact. energy: -0.015 local terms energy: -69.252910 where: bonds (distance) C4'-P energy: -17.261 bonds (distance) P-C4' energy: -11.228 flat angles C4'-P-C4' energy: -15.887 flat angles P-C4'-P energy: -9.738 tors. eta vs tors. theta energy: -15.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -203.452920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.452920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.452920 (E_RNA) where: Base-Base interactions energy: -132.758 where: short stacking energy: -66.132 Base-Backbone interact. energy: -0.030 local terms energy: -70.664619 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -13.978 tors. eta vs tors. theta energy: -15.188 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: 9 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -208.409779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.409779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.409779 (E_RNA) where: Base-Base interactions energy: -134.409 where: short stacking energy: -62.773 Base-Backbone interact. energy: -1.100 local terms energy: -72.900587 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -14.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -165.028218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.028218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.028218 (E_RNA) where: Base-Base interactions energy: -99.876 where: short stacking energy: -50.128 Base-Backbone interact. energy: -0.090 local terms energy: -65.062248 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -15.958 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -9.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -163.821009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.821009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.821009 (E_RNA) where: Base-Base interactions energy: -97.382 where: short stacking energy: -51.418 Base-Backbone interact. energy: -0.080 local terms energy: -66.358635 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -16.537 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -12.103 tors. eta vs tors. theta energy: -12.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -161.185456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.185456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.185456 (E_RNA) where: Base-Base interactions energy: -96.054 where: short stacking energy: -52.372 Base-Backbone interact. energy: -0.116 local terms energy: -65.015196 where: bonds (distance) C4'-P energy: -15.962 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -10.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -148.322135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.322135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.322135 (E_RNA) where: Base-Base interactions energy: -84.549 where: short stacking energy: -43.450 Base-Backbone interact. energy: -0.074 local terms energy: -63.699679 where: bonds (distance) C4'-P energy: -8.377 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -13.986 tors. eta vs tors. theta energy: -9.049 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: 4 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -142.267192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.267192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.267192 (E_RNA) where: Base-Base interactions energy: -83.822 where: short stacking energy: -36.413 Base-Backbone interact. energy: -0.129 local terms energy: -58.315903 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -8.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -85.539775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.539775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.539775 (E_RNA) where: Base-Base interactions energy: -31.160 where: short stacking energy: -25.230 Base-Backbone interact. energy: -0.072 local terms energy: -54.307658 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -17.990 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -12.994 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -74.826577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.826577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.826577 (E_RNA) where: Base-Base interactions energy: -19.265 where: short stacking energy: -19.265 Base-Backbone interact. energy: -0.189 local terms energy: -55.372540 where: bonds (distance) C4'-P energy: -16.400 bonds (distance) P-C4' energy: -15.669 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 1 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 20729126 moves confirmed later: 24914222 all moves confirmed: 45643348 percent of confirmed moves: 5.705419 current total energy: -168.749326 recalc. total energy: -168.749326 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 17781506 moves confirmed later: 20919294 all moves confirmed: 38700800 percent of confirmed moves: 4.837600 current total energy: -150.947397 recalc. total energy: -150.947397 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 17924450 moves confirmed later: 21100051 all moves confirmed: 39024501 percent of confirmed moves: 4.878063 current total energy: -161.186362 recalc. total energy: -161.186362 replica 3 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 20636899 moves confirmed later: 24746586 all moves confirmed: 45383485 percent of confirmed moves: 5.672936 current total energy: -128.534175 recalc. total energy: -128.534175 replica 6 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 19913603 moves confirmed later: 23780276 all moves confirmed: 43693879 percent of confirmed moves: 5.461735 current total energy: -133.641927 recalc. total energy: -133.641927 replica 10 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 16829397 moves confirmed later: 19605536 all moves confirmed: 36434933 percent of confirmed moves: 4.554367 current total energy: -98.851613 recalc. total energy: -98.851613 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 22053430 moves confirmed later: 26666776 all moves confirmed: 48720206 percent of confirmed moves: 6.090026 current total energy: -108.559940 recalc. total energy: -108.559940 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 15415630 moves confirmed later: 17657484 all moves confirmed: 33073114 percent of confirmed moves: 4.134139 current total energy: -82.300722 recalc. total energy: -82.300722 replica 5 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 18102069 moves confirmed later: 21307900 all moves confirmed: 39409969 percent of confirmed moves: 4.926246 current total energy: -52.294579 recalc. total energy: -52.294579 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 17525295 moves confirmed later: 20596119 all moves confirmed: 38121414 percent of confirmed moves: 4.765177 current total energy: -34.718151 recalc. total energy: -34.718151 out arg RESULTS//1/TBEV-f6182dbc_01 Time of doing 8000000 iterations: 3692.250 seconds